NB9

Lamifiban

Created:	2022-03-31
Last modified:	2022-08-17

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2 entries where NB9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	1
Bond Count	64
Aromatic Bond Count	12

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Chemical Component Summary
Name	Lamifiban
Synonyms	({1-[N-(4-carbamimidoylbenzoyl)-L-tyrosyl]piperidin-4-yl}oxy)acetic acid
Systematic Name (OpenEye OEToolkits)	2-[1-[(2~{S})-2-[(4-carbamimidoylphenyl)carbonylamino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyethanoic acid
Formula	C₂₄ H₂₈ N₄ O₆
Molecular Weight	468.502
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C(Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C(=N)N)N1CCC(OCC(=O)O)CC1
SMILES	CACTVS	3.385	NC(=N)c1ccc(cc1)C(=O)N[CH](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)OCC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CC(C(=O)N2CCC(CC2)OCC(=O)O)NC(=O)c3ccc(cc3)C(=N)N)O
Canonical SMILES	CACTVS	3.385	NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)OCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(\c1ccc(cc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N3CCC(CC3)OCC(=O)O)/N
InChI	InChI	1.03	InChI=1S/C24H28N4O6/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31)/t20-/m0/s1
InChIKey	InChI	1.03	FPKOGTAFKSLZLD-FQEVSTJZSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB20451
Name	Lamifiban
Groups	experimental
Description	Lamifiban is a small molecule drug. The usage of the INN stem '-fiban' in the name indicates that Lamifiban is a fibrinogen receptor antagonist (glycoprotein IIb/IIIa receptor antagonist). Lamifiban has a monoisotopic molecular weight of 468.2 Da.
Synonyms	Lamifiban
Categories	Acids, Acyclic Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Anticoagulants Antiplatelet agents Fatty Acids Fatty Acids, Volatile Hematologic Agents Lipids
CAS number	144412-49-7

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Integrin alpha-IIb	MARALCPLQALWLLEWVLLLLGPCAAPPAWALNLDPVQLTFYAGPNGSQF...	unknown	modulator
Integrin beta-3	MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCA...	unknown	modulator

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