CFam Chemical Families Database
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You are searching for "CFAMM00182913" in compound.

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CFAM Mol ID CFAMM00182913
Family CFFID169 B1 bradykinin receptor Ligand B-9858 Family
Superfamily CFSID138 B1 bradykinin receptor Binder Superfamily
Class CFCID94 Class 1444
External ID CHEMBL2372276 External Source CHEMBL
PubChem CID 73353239 Functional Category Bioactive
Molecule Name (2R)-2-[[(2S)-2-[[(2S)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-1-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
IUPAC Name (2R)-2-[[(2S)-2-[[(2S)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-1-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Synonyms
InChi InChI=1S/C65H94N20O13/c66-42(22-10-28-73-62(67)68)54(89)80-46(35-40-18-6-2-7-19-40)56(91)78-43(23-11-29-74-63(69)70)59(94)84-32-15-27-51(84)60(95)83-31-14-26-50(83)58(93)76-37-52(87)77-45(34-39-16-4-1-5-17-39)55(90)81-48(38-86)53(88)49-25-13-33-85(49)65(98)82-47(36-41-20-8-3-9-21-41)57(92)79-44(61(96)97)24-12-30-75-64(71)72/h1-9,16-21,42-51,86H,10-15,22-38,66H2,(H,76,93)(H,77,87)(H,78,91)(H,79,92)(H,80,89)(H,81,90)(H,82,98)(H,96,97)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t42-,43-,44+,45-,46+,47-,48-,49-,50-,51-/m0/s1
InChiKey COQNAUDJZKBTMO-OLKWYUCKSA-N
Formula C65H94N20O13 Molecular Weight 1363.57
Cross Link CHEMBL2372276
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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