SEQ2FUN

BioLiP

PDB CCD ID: CRZ
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N O2
InChI: InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)
InChIKey: HQAKVYGASUTQHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCn3c1ccccc1c2c3cccc2
CACTVS 3.341OC(=O)CCCn1c2ccccc2c3ccccc13
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c3ccccc3n2CCCC(=O)O
Name:4-(9H-CARBAZOL-9-YL)BUTANOIC ACID;
CARBAZOLE BUTANOIC ACID
ChEMBL: CHEMBL185595
DrugBank: DB03851
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).