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BioLiP

PDB CCD ID: I6O
Number of entries in BioLiP: 0
Chemical formula: C20 H27 N3
InChI: InChI=1S/C20H27N3/c1-3-8-16(9-4-1)14-23-15-19(17-10-5-2-6-11-17)22-20(23)18-12-7-13-21-18/h2,5-6,10-11,15-16,18,21H,1,3-4,7-9,12-14H2/t18-/m0/s1
InChIKey: YMIBXGQFWHXYCG-SFHVURJKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CCC(CC1)Cn2cc(nc2[CH]3CCCN3)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cn(c(n2)C3CCCN3)CC4CCCCC4
ACDLabs 12.01C1CC(Cn2cc(nc2C2CCCN2)c2ccccc2)CCC1
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cn(c(n2)[C@@H]3CCCN3)CC4CCCCC4
CACTVS 3.385C1CCC(CC1)Cn2cc(nc2[C@@H]3CCCN3)c4ccccc4
Name:1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
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)(download the PDF file).
  • 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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