CFam Chemical Families Database
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You are searching for "CFAMM00133374" in compound.

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CFAM Mol ID CFAMM00133374
Family CFFCD81 B2 bradykinin receptor Ligand Icatibant Family
Superfamily CFSCD75 B2 bradykinin receptor Ligand Icatibant Superfamily
Class CFCAD645 Class 645
External ID CHEMBL294278 External Source CHEMBL
PubChem CID 44306585 Functional Category Bioactive
Molecule Name 2-[[1-[2-[2-(4-aminobutanoylamino)-3-thiophen-2-ylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
IUPAC Name 2-[[1-[2-[2-(4-aminobutanoylamino)-3-thiophen-2-ylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Synonyms AGN-PC-074E5O;2-[[1-[2-[2-(4-aminobutanoylamino)-3-thiophen-2-ylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChi InChI=1S/C36H50N8O6S/c37-15-5-14-31(45)41-27(20-25-11-7-17-51-25)33(47)43-21-24-10-2-1-8-22(24)18-30(43)34(48)44-28-13-4-3-9-23(28)19-29(44)32(46)42-26(35(49)50)12-6-16-40-36(38)39/h1-2,7-8,10-11,17,23,26-30H,3-6,9,12-16,18-21,37H2,(H,41,45)(H,42,46)(H,49,50)(H4,38,39,40)
Formula C36H50N8O6S Molecular Weight 722.90
Cross Link CHEMBL294278

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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