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Target
Integrin alpha-5/beta-1
Ligand
BDBM50030042
Substrate
n/a
Meas. Tech.
ChEMBL_217623 (CHEMBL820366)
IC50
150±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:
BDBM50030042
Synonyms:
CHEMBL2371501 | R(Pmc)-G-H-R-G-D-V-R-C-R
Type:
Small organic molecule
Emp. Form.:
C54H93N25O14S2
Mol. Mass.:
1380.605
SMILES:
CC(C)[C@H]1NC(=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)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:66.83,30.30,3.2,44.45,wD:7.7,84.86,55.56,70.72,19.19,(11.97,-15.69,;12.16,-14.18,;13.58,-13.57,;10.94,-13.23,;9.9,-14.38,;8.7,-15.33,;9.53,-16.62,;7.33,-16.06,;7.96,-17.47,;9.48,-17.64,;10.4,-16.42,;10.09,-19.06,;5.89,-16.55,;4.35,-16.79,;4.46,-18.33,;2.81,-16.77,;1.3,-16.49,;-.15,-15.95,;-.8,-17.35,;-1.48,-15.18,;-2.35,-16.45,;-1.7,-17.84,;-2.57,-19.11,;-1.92,-20.51,;-2.83,-21.76,;-2.15,-23.15,;-4.35,-21.64,;-2.67,-14.2,;-3.66,-13.03,;-4.9,-13.94,;-4.44,-11.72,;-5.83,-12.38,;-5.95,-13.92,;-4.76,-14.9,;-5.35,-16.34,;-6.9,-16.23,;-7.27,-14.73,;-5,-10.27,;-5.31,-8.76,;-6.83,-8.94,;-5.35,-7.22,;-5.13,-5.7,;-4.66,-4.24,;-6.09,-3.63,;-3.94,-2.87,;-5.26,-2.04,;-3.02,-1.65,;-1.89,-.59,;-.59,.25,;.81,.88,;2.31,1.23,;2.07,2.76,;3.85,1.34,;5.37,1.18,;5.66,2.7,;6.87,.79,;6.93,2.36,;8.25,.13,;9.8,.12,;10.57,1.44,;9.82,2.78,;8.28,2.79,;7.5,1.46,;9.51,-.76,;10.62,-1.83,;11.51,-3.09,;12.18,-4.47,;12.62,-5.95,;12.79,-7.48,;14.32,-7.44,;12.7,-9.01,;14.23,-9.24,;15.55,-8.64,;16.71,-9.65,;18.17,-9.19,;19.32,-10.2,;20.78,-9.72,;19.01,-11.72,;12.36,-10.52,;11.77,-11.94,;13.12,-12.65,;13.62,-3.92,;14.82,-4.89,;13.86,-2.39,;15.29,-1.84,;16.49,-2.81,;17.93,-2.26,;19.14,-3.22,;20.56,-2.67,;21.76,-3.63,;23.19,-3.08,;21.52,-5.16,;15.53,-.32,;16.97,.23,;14.34,.65,)|
Structure:
Search PDB for entries with ligand similarity: