CFam Chemical Families Database
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You are searching for "CFAMM00133373" in compound.

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CFAM Mol ID CFAMM00133373
Family CFFCD81 B2 bradykinin receptor Ligand Icatibant Family
Superfamily CFSCD75 B2 bradykinin receptor Ligand Icatibant Superfamily
Class CFCAD645 Class 645
External ID CHEMBL2369364 External Source CHEMBL
PubChem CID 73345363 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-1-[(3S)-2-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-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 (2S)-2-[[(2S)-1-[(3S)-2-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-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/C38H55N11O6S/c39-26(12-5-15-44-37(40)41)32(50)47-28(20-25-11-7-17-56-25)34(52)48-21-24-10-2-1-8-22(24)18-31(48)35(53)49-29-14-4-3-9-23(29)19-30(49)33(51)46-27(36(54)55)13-6-16-45-38(42)43/h1-2,7-8,10-11,17,23,26-31H,3-6,9,12-16,18-21,39H2,(H,46,51)(H,47,50)(H,54,55)(H4,40,41,44)(H4,42,43,45)/t23?,26-,27-,28-,29?,30-,31-/m0/s1
Formula C38H55N11O6S Molecular Weight 793.98
Cross Link CHEMBL2369364

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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National University of Singapore, Singapore

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