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BioLiP

PDB CCD ID: 9RP
Number of entries in BioLiP: 1
Chemical formula: C16 H12 N4 O
InChI: InChI=1S/C16H12N4O/c21-16-13(10-18-20(16)12-4-2-1-3-5-12)15-8-11-9-17-7-6-14(11)19-15/h1-10,19,21H
InChIKey: GOEIALIONKXAFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O
CACTVS 3.385Oc1n(ncc1c2[nH]c3ccncc3c2)c4ccccc4
ACDLabs 12.01n3(c(c(c2cc1c(ccnc1)n2)cn3)O)c4ccccc4
Name:1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol
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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