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You are searching for "CFAMM00433365" in compound. Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
CFAM Mol ID | CFAMM00433365 |
Family | CFFBM15322 Endothelin-1 receptor and Endothelin B receptor ligand 2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoic acid family |
Superfamily | CFSBM5309 Prothrombin and Endothelin-1 receptor Binder Superfamily |
Class | CFCCD64 Class 877 |
External ID | CHEMBL305524 |
External Source | CHEMBL |
PubChem CID |
44315008 |
Functional Category |
Bioactive |
Molecule Name |
2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-ethylsulfanylpropanoic acid |
IUPAC Name |
2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-ethylsulfanylpropanoic acid |
Synonyms |
CHEBI:221708 |
InChi |
InChI=1S/C30H44BrN5O5S/c1-6-42-16-25(29(39)40)34-28(38)24(15-21-20-12-7-8-13-22(20)32-26(21)31)33-27(37)23(14-17(2)3)35-30(41)36-18(4)10-9-11-19(36)5/h7-8,12-13,17-19,23-25,32H,6,9-11,14-16H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,25?/m1/s1 |
InChiKey |
LZBDEPUGFFURHL-JIJGDNSHSA-N |
Formula | C30H44BrN5O5S |
Molecular Weight | 666.67 |
Cross Link | CHEMBL305524 |
Structure |
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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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Last update by |
2014.08.29
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Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
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National University of Singapore, Singapore
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