Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LEDA92
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| Ligand Name |
N-Methyl-D-Phenylalanyl-N-{(1s)-4-Carbamimidamido-1-[(6-Carboxy-1,3-Benzothiazol-2-Yl)carbonyl]butyl}-L-Prolinamide
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| Synonyms |
RWJ-51438; CHEMBL403929; N-Methyl-D-Phenylalanyl-N-{(1s)-4-Carbamimidamido-1-[(6-Carboxy-1,3-Benzothiazol-2-Yl)carbonyl]butyl}-L-Prolinamide; 2-ketobenzothiazole 4; BDBM14129; Q27452594; 2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanoyl]-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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Download2D MOL |
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| Formula |
C29H35N7O5S
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| Canonical SMILES |
CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)C3=NC4=C(S3)C=C(C=C4)C(=O)O
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| InChI |
1S/C29H35N7O5S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-29(30)31)24(37)26-35-19-12-11-18(28(40)41)16-23(19)42-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H,40,41)(H4,30,31,33)/t20-,21+,22-/m0/s1
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| InChIKey |
XNPQCHOSZVJBHP-BDTNDASRSA-N
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| PubChem Compound ID | ||||
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