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BioLiP

PDB CCD ID: 3GG
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N6 O
InChI: InChI=1S/C14H12N6O/c21-14(15-11-4-2-1-3-5-11)16-12-8-6-10(7-9-12)13-17-19-20-18-13/h1-9H,(H2,15,16,21)(H,17,18,19,20)
InChIKey: KTIWLNFSBOCUHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Nc1ccccc1)Nc2ccc(cc2)c3[nH]nnn3
OpenEye OEToolkits 1.9.2c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3
ACDLabs 12.01O=C(Nc1ccccc1)Nc3ccc(c2nnnn2)cc3
Name:1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea
ChEMBL: CHEMBL3359139
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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