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Name | Calcitonin gene-related peptide type 1 receptor |
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Species | Rattus norvegicus (Rat) |
Gene | Calcrl |
Synonym | Calcitonin receptor-like receptor CGRP type 1 receptor CLR (unofficial abbreviation in common use) CRLR |
Disease | N/A for non-human GPCRs |
Length | 464 |
Amino acid sequence | MMDKKCTLCFLFLLLLNMALIAAESEEGANQTDLGVTRNKIMTAQYECYQKIMQDPIQQGEGLYCNRTWDGWLCWNDVAAGTESMQYCPDYFQDFDPSEKVTKICDQDGNWFRHPDSNRTWTNYTLCNNSTHEKVKTALNLFYLTIIGHGLSIASLIISLIIFFYFKSLSCQRITLHKNLFFSFVCNSIVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLLPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLFPWRPEGKVAEEVYDYVMHILMHYQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNGFSHSDALRSASYTVSTISDVQGYSHDCPTEHLNGKSIQDIENVALKPEKMYDLVM |
UniProt | Q63118 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4755 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL2369454 |
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Molecular formula | C136H228N42O38 |
IUPAC name | (2S)-N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]butanediamide |
Molecular weight | 3059.58 |
Hydrogen bond acceptor | 43 |
Hydrogen bond donor | 44 |
XlogP | -9.9 |
Synonyms | BDBM50000747 [Arg-Leu-Ala-Gly-Leu-Leu-Ser-Arg-Ser-Gly-Gly-Val-Val-Lys-Asn-Asn-Phe-Val-Pro-Thr-Asn-Val-Gly-Ser-Lys-Ala-Phe-NH2] hCG |
Inchi Key | IXKHEVJPUUINGC-LUUPEORNSA-N |
Inchi ID | InChI=1S/C136H228N42O38/c1-64(2)49-84(157-99(188)59-151-110(192)72(17)154-118(200)85(50-65(3)4)164-116(198)81(41-32-46-148-135(144)145)159-111(193)74(19)156-132(214)107(75(20)182)177-128(210)102(142)67(7)8)119(201)165-86(51-66(5)6)120(202)171-93(63-181)126(208)161-82(42-33-47-149-136(146)147)117(199)170-91(61-179)113(195)152-57-98(187)150-58-101(190)172-104(69(11)12)131(213)174-105(70(13)14)130(212)162-80(40-29-31-45-138)115(197)167-88(54-95(139)184)122(204)168-89(55-96(140)185)121(203)166-87(53-78-37-26-23-27-38-78)123(205)175-106(71(15)16)134(216)178-48-34-43-94(178)127(209)176-108(76(21)183)133(215)169-90(56-97(141)186)124(206)173-103(68(9)10)129(211)153-60-100(189)158-92(62-180)125(207)160-79(39-28-30-44-137)114(196)155-73(18)112(194)163-83(109(143)191)52-77-35-24-22-25-36-77/h22-27,35-38,64-76,79-94,102-108,179-183H,28-34,39-63,137-138,142H2,1-21H3,(H2,139,184)(H2,140,185)(H2,141,186)(H2,143,191)(H,150,187)(H,151,192)(H,152,195)(H,153,211)(H,154,200)(H,155,196)(H,156,214)(H,157,188)(H,158,189)(H,159,193)(H,160,207)(H,161,208)(H,162,212)(H,163,194)(H,164,198)(H,165,201)(H,166,203)(H,167,197)(H,168,204)(H,169,215)(H,170,199)(H,171,202)(H,172,190)(H,173,206)(H,174,213)(H,175,205)(H,176,209)(H,177,210)(H4,144,145,148)(H4,146,147,149)/t72-,73-,74-,75+,76+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1 |
PubChem CID | 73346897 |
ChEMBL | CHEMBL2369454 |
IUPHAR | N/A |
BindingDB | 50000747 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 11.0 nM | PMID1319490 | ChEMBL |
IC50 | 17.9 nM | PMID1319490 | BindingDB |
Relative affinity | 22.0 - | PMID1319490 | ChEMBL |
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