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You are searching for "CFAMM00183653" 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 | CFAMM00183653 |
| Family | CFFID189 Integrin alpha-4 Inhibitor BIO-1211 Family |
| Superfamily | CFSID153 Integrin alpha-4 Inhibitor BIO-1211 Superfamily |
| Class | CFCID105 Class 1455 |
| External ID | CHEMBL48235 |
External Source | CHEMBL |
| PubChem CID |
44294759 |
Functional Category |
Bioactive |
| Molecule Name |
(2S)-2-[[(2S)-3-carboxy-2-[[(3R)-1-[(E)-3-[4-(diaminomethylideneamino)phenyl]prop-2-enoyl]piperidine-3-carbonyl]amino]propanoyl]amino]-3-methylbutanoic acid |
| IUPAC Name |
(2S)-2-[[(2S)-3-carboxy-2-[[(3R)-1-[(E)-3-[4-(diaminomethylideneamino)phenyl]prop-2-enoyl]piperidine-3-carbonyl]amino]propanoyl]amino]-3-methylbutanoic acid |
| Synonyms |
CHEBI:175933 |
| InChi |
InChI=1S/C25H34N6O7/c1-14(2)21(24(37)38)30-23(36)18(12-20(33)34)29-22(35)16-4-3-11-31(13-16)19(32)10-7-15-5-8-17(9-6-15)28-25(26)27/h5-10,14,16,18,21H,3-4,11-13H2,1-2H3,(H,29,35)(H,30,36)(H,33,34)(H,37,38)(H4,26,27,28)/b10-7+/t16-,18+,21+/m1/s1 |
| InChiKey |
KACFVQSPKYMEDU-AMVWSGSLSA-N |
| Formula | C25H34N6O7 |
Molecular Weight | 530.57 |
| Cross Link | CHEMBL48235 |
| 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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Dr.
Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore
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