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BioLiP

PDB CCD ID: V5S
Number of entries in BioLiP: 0
Chemical formula: C8 H10 Br N O
InChI: InChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)10-5-6-11/h1-4,10-11H,5-6H2
InChIKey: GYWMAZOWKOVMKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(CCO)c1ccc(Br)cc1
CACTVS 3.385OCCNc1ccc(Br)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1NCCO)Br
Name:2-[(4-bromophenyl)amino]ethan-1-ol
ZINC: ZINC000013517873
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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