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BioLiP

PDB CCD ID: 00X
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O
InChI: InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1
InChIKey: LOPKSXMQWBYUOI-BDAKNGLRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH]1[CH](O)Cc2ccccc12
CACTVS 3.370N[C@@H]1[C@H](O)Cc2ccccc12
ACDLabs 12.01OC2Cc1ccccc1C2N
OpenEye OEToolkits 1.7.0c1ccc2c(c1)C[C@H]([C@H]2N)O
OpenEye OEToolkits 1.7.0c1ccc2c(c1)CC(C2N)O
Name:(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol
ZINC: ZINC000000154811
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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