CFam Chemical Families Database
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You are searching for "CFAMM00133375" in compound.

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CFAM Mol ID CFAMM00133375
Family CFFCD81 B2 bradykinin receptor Ligand Icatibant Family
Superfamily CFSCD75 B2 bradykinin receptor Ligand Icatibant Superfamily
Class CFCAD645 Class 645
External ID DNC011545 External Source TTD
PubChem CID 44273898 Functional Category Investigative Drug
Molecule Name (D)Arg-Arg-Pro-Hyp-Gly-Thi-Ser-(D)Tic-Aoc-Arg
IUPAC Name 2-[[1-[2-[(2R)-2-[[2-[[2-[[(2R)-1-[(2R)-1-[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Synonyms DNC011545;(D)Arg-Arg-Pro-Hyp-Gly-Thi-Ser-(D)Tic-Aoc-Arg
InChi InChI=1S/C58H87N19O13S/c59-36(13-4-18-66-56(60)61)47(81)71-37(14-5-19-67-57(62)63)51(85)74-21-7-17-42(74)53(87)76-29-34(79)25-43(76)49(83)69-27-46(80)70-39(26-35-12-8-22-91-35)48(82)73-40(30-78)52(86)75-28-33-10-2-1-9-31(33)23-45(75)54(88)77-41-16-3-11-32(41)24-44(77)50(84)72-38(55(89)90)15-6-20-68-58(64)65/h1-2,8-10,12,22,32,34,36-45,78-79H,3-7,11,13-21,23-30,59H2,(H,69,83)(H,70,80)(H,71,81)(H,72,84)(H,73,82)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t32?,34?,36-,37-,38?,39?,40-,41?,42-,43-,44?,45?/m1/s1
InChiKey TZXGWOFUQYJXKR-OSXXQWSASA-N
Formula C58H87N19O13S Molecular Weight 1290.50
Cross Link
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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