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BioLiP

PDB CCD ID: V2L
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N3
InChI: InChI=1S/C11H13N3/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2
InChIKey: WAKASDKZDPCQPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cn2ccnc2CN
ACDLabs 12.01NCc1nccn1Cc1ccccc1
CACTVS 3.385NCc1nccn1Cc2ccccc2
Name:1-(1-benzyl-1H-imidazol-2-yl)methanamine
ChEMBL: CHEMBL164646
ZINC: ZINC000002506140
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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