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BioLiP

PDB CCD ID: KJ7
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N3
InChI: InChI=1S/C10H13N3/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)/t9-/m0/s1
InChIKey: OZKGTJHTWRZQLA-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NC[C@H](Cc2ccccc2)N1
CACTVS 3.385NC1=NC[CH](Cc2ccccc2)N1
OpenEye OEToolkits 2.0.6c1ccc(cc1)C[C@H]2CN=C(N2)N
OpenEye OEToolkits 2.0.6c1ccc(cc1)CC2CN=C(N2)N
ACDLabs 12.01C=1(N)NC(CN=1)Cc2ccccc2
Name:(5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine
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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