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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02179989

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PR14-HYDROXY-3-[2-OXO-3-(THIENO[3,2-
B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-
1-YLMETHYL]-BENZAMIDINE
A1F0T0.73
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE
A1CVZ0.71
YBH4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
BUTYRIC ACID
A1RWX0.72
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID
A,B1UTZ0.8
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE
A1MMR0.72
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE
A,B1W220.73
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH40.72
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH90.72
IIA1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-
3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BOH0.7
BMSA,B1DKF0.7
737N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-
BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-
YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-
1-YL}-ACETAMIDE
A1ZTL0.72
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL
A,B2VQQ0.73
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL
A,B2VQO0.73
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL
A2VQJ0.73
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
A1ME30.72
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.7
SYB4-[4-(DIMETHYLAMINO)-N-METHYL-L-
PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)-
1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]-
4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN
A,B2Z2P0.71
SYB4-[4-(DIMETHYLAMINO)-N-METHYL-L-
PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)-
1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]-
4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN
0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
1YJW0.71
SYB4-[4-(DIMETHYLAMINO)-N-METHYL-L-
PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)-
1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]-
4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN
01SM10.71
HQC3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-
AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
4-OXO-BUTYRI ACID
A1RWP0.76
32T(S)-2-AMINO-3-(4H-THIENO[3,2-B]-
PYRROL-6-YL)-PROPIONIC ACID
A1RMO0.71
B97(10R)-10-methyl-3-(6-methylpyridin-
3-yl)-9,10,11,12-tetrahydro-8H-
[1,4]diazepino[5',6':4,5]thieno[3,2-
f]quinolin-8-one
X3FYJ0.73
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID
A1RWM0.75
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.7
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID
A1RWO0.76
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.7
1802-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-
3-[[2-CARBONYL-5-[2-(PIPERIDIN-
4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-
PROPIONIC ACID
A,B2VC20.71
LIQN-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-
2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE
A2HM10.7