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You are searching for "CFAMM00183640" 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 | CFAMM00183640 |
| Family | CFFID189 Integrin alpha-4 Inhibitor BIO-1211 Family |
| Superfamily | CFSID153 Integrin alpha-4 Inhibitor BIO-1211 Superfamily |
| Class | CFCID105 Class 1455 |
| External ID | CHEMBL1791268 |
External Source | CHEMBL |
| PubChem CID |
10795800 |
Functional Category |
Bioactive |
| Molecule Name |
(3S)-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]-4-oxobutanoic acid |
| IUPAC Name |
(3S)-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]-4-oxobutanoic acid |
| Synonyms |
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| InChi |
InChI=1S/C43H60N8O13/c1-22(2)18-29(45-33(54)19-26-13-15-27(16-14-26)44-43(64)48-28-11-8-7-10-24(28)5)37(57)46-30(20-34(55)56)38(58)49-35(23(3)4)41(61)51-17-9-12-32(51)40(60)47-31(21-52)39(59)50-36(25(6)53)42(62)63/h7-8,10-11,13-16,22-23,25,29-32,35-36,52-53H,9,12,17-21H2,1-6H3,(H,45,54)(H,46,57)(H,47,60)(H,49,58)(H,50,59)(H,55,56)(H,62,63)(H2,44,48,64)/t25-,29+,30+,31+,32+,35+,36+/m1/s1 |
| InChiKey |
DZZGWIOPCRAELG-ZSLSYWIWSA-N |
| Formula | C43H60N8O13 |
Molecular Weight | 896.98 |
| Cross Link | CHEMBL1791268 |
| 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.
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How to cite our database |
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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 |
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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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