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BioLiP

PDB CCD ID: 7NH
Number of entries in BioLiP: 1
Chemical formula: C21 H18 N4 O2
InChI: InChI=1S/C21H18N4O2/c22-21(27)24-11-13-3-1-4-14(9-13)16-5-2-6-17(20(16)26)19-10-15-12-23-8-7-18(15)25-19/h1-10,12,25-26H,11H2,(H3,22,24,27)
InChIKey: SRPOHNDQBDHONJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)NCc1cccc(c1)c2cccc(c2O)c3[nH]c4ccncc4c3
OpenEye OEToolkits 1.5.0c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N
ACDLabs 10.04O=C(N)NCc1cccc(c1)c4cccc(c3cc2c(ccnc2)n3)c4O
Name:[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA
DrugBank: DB07247
ZINC: ZINC000014956591
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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