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BioLiP

PDB CCD ID: WUS
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N3
InChI: InChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1
InChIKey: JGCNHPQMPGHGHT-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]c2CC[C@@H](N)Cc2n1
OpenEye OEToolkits 2.0.7Cc1[nH]c2c(n1)C[C@@H](CC2)N
OpenEye OEToolkits 2.0.7Cc1[nH]c2c(n1)CC(CC2)N
CACTVS 3.385Cc1[nH]c2CC[CH](N)Cc2n1
ACDLabs 12.01c12CC(CCc1nc(C)n2)N
Name:(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine
ZINC: ZINC000082407965
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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