Ki Summary

Reaction Details

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Target

Coagulation factor X

Ligand

BDBM50110749

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_49309 (CHEMBL663408)

220±n/a nM

Citation

Liebeschuetz, JW; Jones, SD; Morgan, PJ; Murray, CW; Rimmer, AD; Roscoe, JM; Waszkowycz, B; Welsh, PM; Wylie, WA; Young, SC; Martin, H; Mahler, J; Brady, L; Wilkinson, K PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors. J Med Chem45:1221-32 (2002) [PubMed]

More Info.:

Get all data from this article, Assay Method

Coagulation factor X

Name:

Coagulation factor X

Synonyms:

Type:

Enzyme

Mol. Mass.:

54726.60

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

488

Sequence:

MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEE
TCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKN
CELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERR
KRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQE
CKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGE
AVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGI
VSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSG
GPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPE
VITSSPLK

BDBM50110749

n/a

Name

BDBM50110749

Synonyms:

CHEMBL417827 | N-{[(4-Aminomethyl-cyclohexylmethyl)-carbamoyl]-phenyl-methyl}-3-carbamimidoyl-benzamide

Type

Small organic molecule

Emp. Form.

C24H31N5O2

Mol. Mass.

421.5352

SMILES

NCC1CCC(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1 |wD:10.10,(12.47,-2,;11.14,-1.22,;9.8,-1.99,;8.48,-1.22,;7.13,-1.99,;7.14,-3.51,;5.79,-4.28,;4.46,-3.51,;3.13,-4.28,;3.13,-5.82,;1.8,-3.51,;.46,-4.27,;-.87,-3.51,;-.89,-1.97,;-2.2,-4.28,;-2.2,-5.84,;-3.52,-6.61,;-4.85,-5.85,;-4.87,-4.3,;-3.53,-3.53,;-6.2,-3.54,;-7.51,-4.33,;-6.22,-2,;1.01,-2.16,;2.34,-1.38,;2.32,.15,;1,.92,;-.34,.12,;-.32,-1.41,;8.48,-4.3,;9.8,-3.53,)|

Structure