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BioLiP

PDB CCD ID: O5E
Number of entries in BioLiP: 4
Chemical formula: C15 H14 N6 O
InChI: InChI=1S/C15H14N6O/c22-14(17-15-18-20-21-19-15)13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,13,16H,(H2,17,18,19,20,21,22)/t13-/m1/s1
InChIKey: PLRZYAQVTMJESZ-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Nc1[nH]nnn1)[CH](Nc2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3
ACDLabs 12.01C(C(c1ccccc1)Nc2ccccc2)(=O)Nc3nnnn3
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(C(=O)Nc2[nH]nnn2)Nc3ccccc3
CACTVS 3.385O=C(Nc1[nH]nnn1)[C@H](Nc2ccccc2)c3ccccc3
Name:(2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide
ZINC: ZINC000621478358
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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