3IB

3-INDOLEBUTYRIC ACID

Find entries where: 3IB

is present as a standalone ligand in 3 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries

Find related ligands:

Similar Ligands (Stereospecific)

Similar Ligands (Quick Screen)

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-INDOLEBUTYRIC ACID
Identifiers	4-(1H-indol-3-yl)butanoic acid
Formula	C₁₂ H₁₃ N O₂
Molecular Weight	203.237
Type	NON-POLYMER
Isomeric SMILES	c1ccc2c(c1)c(c[nH]2)CCCC(=O)O
InChI	InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
InChIKey	JTEDVYBZBROSJT-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB02740 ?
Name	3-Indolebutyric Acid
Groups	experimental
Synonyms	3-Indolebutyric Acid
Categories	Heterocyclic Compounds, Fused-Ring
CAS number	133-32-4

Drug Targets

Name	Target Sequence	Pharmacological Action
Beta-2-microglobulin	MSRSVALAVLALLSLSGLEAIQRTPKIQVYSRHPAENGKSNFLNCYVSGF...	unknown
T-cell receptor alpha chain C region	PNIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKTV...	unknown
T-cell receptor beta-1 chain C region	EDLNKVFPPEVAVFEPSEAEISHTQKATLVCLATGFFPDHVELSWWVNGK...	unknown
HLA class I histocompatibility antigen, A-2 alpha chain	MAVMAPRTLLLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVG...	unknown
Aromatic-amino-acid aminotransferase	MLGNLKPQAPDKILALMGEFRADPRQGKIDLGVGVYKDATGHTPIMRAVH...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682