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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02792120

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.72
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.75
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.77
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.86
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
A1ZQ50.71
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
CRIA,B1VKG0.74
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
VK3MENADIONEA1TUV0.71
VK3MENADIONEA,B2QR20.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.74
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
3AB3-aminobenzamideA,B,C,D3GOY0.73
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.77
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.73
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.7
S2DN-BENZOYL-D-ALANINEA,B2JCI0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.72
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.71
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.71
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.71
BZQDIPHENYLMETHANONEA,B1GT50.75
BZQDIPHENYLMETHANONEA,B1DZP0.75
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.77
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
BHOBENZHYDROXAMIC ACIDA,B1GX20.88
BHOBENZHYDROXAMIC ACIDA1HSR0.88
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.88
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.88
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.88
BHOBENZHYDROXAMIC ACIDA3GCK0.88
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.88
TSNTRICHOSTATIN AA,B1T640.72
TSNTRICHOSTATIN AA,B1C3R0.72
TSNTRICHOSTATIN AA,B,C3F0R0.72
TSNTRICHOSTATIN AA,B,C3C100.72
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.76
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.71
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.8
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.72
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.72
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.72