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BioLiP

PDB CCD ID: VMC
Number of entries in BioLiP: 3
Chemical formula: C23 H27 N3 O2
InChI: InChI=1S/C23H27N3O2/c1-25-13-6-9-19(25)12-14-26-16-24-22(17-7-4-3-5-8-17)23(26)18-10-11-20(27)21(15-18)28-2/h3-5,7-8,10-11,15-16,19,27H,6,9,12-14H2,1-2H3/t19-/m0/s1
InChIKey: YGPHAIXUDLLWHC-IBGZPJMESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4
CACTVS 3.385COc1cc(ccc1O)c2n(CC[C@@H]3CCCN3C)cnc2c4ccccc4
CACTVS 3.385COc1cc(ccc1O)c2n(CC[CH]3CCCN3C)cnc2c4ccccc4
OpenEye OEToolkits 2.0.7CN1CCCC1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4
ACDLabs 12.01Oc1c(OC)cc(cc1)c2n(cnc2c3ccccc3)CCC4N(CCC4)C
Name:2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol
ZINC: ZINC000065536492
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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