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BioLiP

PDB CCD ID: QPD
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N4 O2
InChI: InChI=1S/C17H16N4O2/c18-16(22)15(11-6-2-1-3-7-11)20-21-17(23)13-10-19-14-9-5-4-8-12(13)14/h1-10,15,19-20H,(H2,18,22)(H,21,23)/t15-/m1/s1
InChIKey: WSPHGVLLBKLDEN-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)[C@H](NNC(=O)c1c[nH]c2ccccc12)c3ccccc3
CACTVS 3.385NC(=O)[CH](NNC(=O)c1c[nH]c2ccccc12)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@H](C(=O)N)NNC(=O)c2c[nH]c3c2cccc3
ACDLabs 12.01c2ccc3ncc(C(=O)NNC(c1ccccc1)C(=O)N)c3c2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(C(=O)N)NNC(=O)c2c[nH]c3c2cccc3
Name:(2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide
ZINC: ZINC000026224086

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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