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Target
Integrin alpha-5/beta-1
Ligand
BDBM50030069
Substrate
n/a
Meas. Tech.
ChEMBL_217623 (CHEMBL820366)
IC50
10.00±n/a nM
Citation
 Cheng, S; Craig, WS; Mullen, D; Tschopp, JF; Dixon, D; Pierschbacher, MD Design and synthesis of novel cyclic RGD-containing peptides as highly potent and selective integrin alpha IIb beta 3 antagonists. J Med Chem 37:1-8 (1994) [PubMed]  Article 
Target
Name:
Integrin alpha-5/beta-1
Synonyms:
Fibronectin receptor alpha/beta | Fibronectin receptor beta/Integrin alpha5 | ITGA5/ITGB1
Type:
Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Integrin alpha-5
Synonyms:
CD49 antigen-like family member E | CD49e antigen | FNRA | Fibrinogen receptor subunit alpha 5 beta 1 | Fibronectin receptor subunit alpha | ITA5_HUMAN | ITGA5 | Integrin alpha-5 precursor | Integrin alpha-F | VLA-5
Type:
Single-pass type I membrane protein
Mol. Mass.:
114523.00
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
1049
Sequence:
MGSRTPESPLHAVQLRWGPRRRPPLLPLLLLLLPPPPRVGGFNLDAEAPAVLSGPPGSFFGFSVEFYRPGTDGVSVLVGAPKANTSQPGVLQGGAVYLCPWGASPTQCTPIEFDSKGSRLLESSLSSSEGEEPVEYKSLQWFGATVRAHGSSILACAPLYSWRTEKEPLSDPVGTCYLSTDNFTRILEYAPCRSDFSWAAGQGYCQGGFSAEFTKTGRVVLGGPGSYFWQGQILSATQEQIAESYYPEYLINLVQGQLQTRQASSIYDDSYLGYSVAVGEFSGDDTEDFVAGVPKGNLTYGYVTILNGSDIRSLYNFSGEQMASYFGYAVAATDVNGDGLDDLLVGAPLLMDRTPDGRPQEVGRVYVYLQHPAGIEPTPTLTLTGHDEFGRFGSSLTPLGDLDQDGYNDVAIGAPFGGETQQGVVFVFPGGPGGLGSKPSQVLQPLWAASHTPDFFGSALRGGRDLDGNGYPDLIVGSFGVDKAVVYRGRPIVSASASLTIFPAMFNPEERSCSLEGNPVACINLSFCLNASGKHVADSIGFTVELQLDWQKQKGGVRRALFLASRQATLTQTLLIQNGAREDCREMKIYLRNESEFRDKLSPIHIALNFSLDPQAPVDSHGLRPALHYQSKSRIEDKAQILLDCGEDNICVPDLQLEVFGEQNHVYLGDKNALNLTFHAQNVGEGGAYEAELRVTAPPEAEYSGLVRHPGNFSSLSCDYFAVNQSRLLVCDLGNPMKAGASLWGGLRFTVPHLRDTKKTIQFDFQILSKNLNNSQSDVVSFRLSVEAQAQVTLNGVSKPEAVLFPVSDWHPRDQPQKEEDLGPAVHHVYELINQGPSSISQGVLELSCPQALEGQQLLYVTRVTGLNCTTNHPINPKGLELDPEGSLHHQQKREAPSRSSASSGPQILKCPEAECFRLRCELGPLHQQESQSLQLHFRVWAKTFLQREHQPFSLQCEAVYKALKMPYRILPRQLPQKERQVATAVQWTKAEGSYGVPLWIIILAILFGLLLLGLLIYILYKLGFFKRSLPYGTAMEKAQLKPPATSDA
  
Component 2
Name:
Integrin beta-1
Synonyms:
CD_antigen=CD29 | FNRB | Fibronectin receptor beta | Fibronectin receptor subunit beta | GPIIA | ITB1_HUMAN | ITGB1 | Integrin Glycoprotein IIa | MDF2 | MSK12
Type:
Enzyme
Mol. Mass.:
88400.38
Organism:
Homo sapiens (Human)
Description:
P05556
Residue:
798
Sequence:
MNLQPIFWIGLISSVCCVFAQTDENRCLKANAKSCGECIQAGPNCGWCTNSTFLQEGMPTSARCDDLEALKKKGCPPDDIENPRGSKDIKKNKNVTNRSKGTAEKLKPEDITQIQPQQLVLRLRSGEPQTFTLKFKRAEDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDFRIGFGSFVEKTVMPYISTTPAKLRNPCTSEQNCTSPFSYKNVLSLTNKGEVFNELVGKQRISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDGKLGGIVLPNDGQCHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAVTEEFQPVYKELKNLIPKSAVGTLSANSSNVIQLIIDAYNSLSSEVILENGKLSEGVTISYKSYCKNGVNGTGENGRKCSNISIGDEVQFEISITSNKCPKKDSDSFKIRPLGFTEEVEVILQYICECECQSEGIPESPKCHEGNGTFECGACRCNEGRVGRHCECSTDEVNSEDMDAYCRKENSSEICSNNGECVCGQCVCRKRDNTNEIYSGKFCECDNFNCDRSNGLICGGNGVCKCRVCECNPNYTGSACDCSLDTSTCEASNGQICNGRGICECGVCKCTDPKFQGQTCEMCQTCLGVCAEHKECVQCRAFNKGEKKDTCTQECSYFNITKVESRDKLPQPVQPDPVSHCKEKDVDDCWFYFTYSVNGNNEVMVHVVENPECPTGPDIIPIVAGVVAGIVLIGLALLLIWKLLMIIHDRREFAKFEKEKMNAKWDTGENPIYKSAVTTVVNPKYEGK
  
Inhibitor
Name:
BDBM50030069
Synonyms:
CHEMBL2371473 | R(Pmc)-G-H-R-G-D-(p-I-F)-R-C-R
Type:
Small organic molecule
Emp. Form.:
C58H92IN25O14S2
Mol. Mass.:
1554.545
SMILES:
N[C@H]1CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.89,72.74,1.0,wD:49.51,89.92,37.38,11.11,26.27,61.63,(-3.53,-2.5,;-2.24,-3.33,;-1.3,-2.11,;-.17,-1.05,;1.11,-.21,;2.54,.41,;4.02,.77,;3.79,2.29,;5.55,.88,;7.09,.72,;7.37,2.24,;8.57,.31,;8.68,1.66,;9.96,-.32,;9.19,1.01,;9.96,2.36,;11.52,2.35,;12.29,1.01,;11.52,-.32,;11.23,-1.22,;12.33,-2.29,;13.23,-3.55,;13.9,-4.93,;14.32,-6.41,;14.51,-7.94,;16.03,-7.9,;14.42,-9.48,;15.94,-9.7,;17.12,-8.68,;18.54,-9.22,;19.75,-8.26,;21.19,-8.82,;22.38,-7.85,;21.43,-10.33,;14.07,-10.98,;13.47,-12.4,;14.83,-13.11,;12.66,-13.7,;13.88,-14.64,;15.44,-14.64,;16.16,-13.26,;17.69,-13.21,;18.51,-14.53,;20.05,-14.46,;17.79,-15.88,;16.25,-15.93,;11.62,-14.84,;10.4,-15.79,;11.25,-17.08,;9.05,-16.53,;9.66,-17.93,;11.2,-18.11,;12.12,-16.88,;11.81,-19.51,;7.59,-17.01,;6.07,-17.26,;6.18,-18.79,;4.53,-17.23,;3.02,-16.95,;1.57,-16.42,;.93,-17.81,;.24,-15.65,;-.63,-16.92,;.02,-18.3,;-.87,-19.57,;-.2,-20.97,;-1.09,-22.23,;-.44,-23.62,;-2.64,-22.1,;-.94,-14.66,;-1.94,-13.49,;-3.2,-14.4,;-2.74,-12.18,;-4.11,-12.84,;-4.22,-14.38,;-3.05,-15.37,;-3.63,-16.8,;-5.16,-16.69,;-5.53,-15.19,;-3.28,-10.73,;-3.59,-9.22,;-5.13,-9.4,;-3.63,-7.68,;-3.41,-6.16,;-2.94,-4.7,;-4.37,-4.1,;15.34,-4.39,;16.55,-5.35,;15.57,-2.86,;17.01,-2.3,;18.21,-3.28,;19.66,-2.72,;20.84,-3.68,;22.28,-3.13,;23.49,-4.1,;24.91,-3.54,;23.25,-5.63,;17.25,-.78,;18.69,-.23,;16.06,.18,)|
Structure:
Search PDB for entries with ligand similarity: