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BioLiP

PDB CCD ID: WA0
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N3
InChI: InChI=1S/C11H13N3/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-7,10H,8,12H2,(H,13,14)/t10-/m1/s1
InChIKey: UILZJHCFDFUHKX-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@@H](Cc2[nH]ccn2)N
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(Cc2[nH]ccn2)N
ACDLabs 12.01NC(Cc1ncc[NH]1)c1ccccc1
CACTVS 3.385N[C@H](Cc1[nH]ccn1)c2ccccc2
CACTVS 3.385N[CH](Cc1[nH]ccn1)c2ccccc2
Name:(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine
ZINC: ZINC000009156388
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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