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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 1M1
Number of entries in BioLiP: 2
Chemical formula: C19 H14 N4
InChI: InChI=1S/C19H14N4/c1-2-8-14-13(7-1)18-22-15-9-3-4-11-17(15)23(18)19(21-14)16-10-5-6-12-20-16/h1-12,19,21H/t19-/m1/s1
InChIKey: ZMZZAQWHHFSQPH-LJQANCHMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)-c3nc4ccccc4n3C(N2)c5ccccn5
OpenEye OEToolkits 1.7.6c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5
ACDLabs 12.01n2c1c(cccc1)n4c2c5c(NC4c3ncccc3)cccc5
CACTVS 3.370N1[CH](n2c3ccccc3nc2c4ccccc14)c5ccccn5
CACTVS 3.370N1[C@H](n2c3ccccc3nc2c4ccccc14)c5ccccn5
Name:(6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
ZINC: ZINC000013127638

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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