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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00945162

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HBH2-[(8S,11S)-11-{(1R)-1-HYDROXY-
2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-
6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-
1(15),13,16-TRIEN-8-YL]ACETAMIDE		A,B1Z1R0.79
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.7
RS2N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-
TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE		A966C0.75
G05(4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-
6-yl [(1S,2R)-1-benzyl-2-hydroxy-
3-{[(4-methoxyphenyl)sulfonyl](2-
methylpropyl)amino}propyl]carbamate		A,B3DK10.75
BZNN-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-
3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide		B3BHE0.75
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.73
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.7
HS12-[[(2S)-2,3-dihydroxypropyl]-(4-
methoxyphenyl)sulfonyl-amino]-N-
oxo-ethanamide		A3F150.72
MUUN-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-
METHOXYPHENYL)SULFONYL]AMINO}-2-
HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE		A,B2PSU0.82
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE		C,O2V100.72
32P3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-
5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE		A1TQF0.7
NOQ(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-
METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE		A2F7D0.88
TF3N-(2-AMINOETHYL)-2-{3-CHLORO-4-
[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE		A2BU70.72
F1NN-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-
4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide		A2ZJN0.7
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2FZS0.7
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid		A,B3BXS0.73
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.72
VSCA1EWO0.74
AGGTIROFIBANA,B2VDM0.78
DJR(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL [(1S,2R)-1-BENZYL-
2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE		A2I4U0.73
DJR(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL [(1S,2R)-1-BENZYL-
2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE		B2I4V0.73
PI7N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL) -
PROPYL]-3-METHYL-2-PROPIONYLAMINO-
BUTYRAMIDE		A,B1B6P0.75
0EZtert-butyl [(1S,2S)-1-benzyl-2-
hydroxy-3-{[(8S,11R)-8-[(1R)-1-
methylpropyl]-7,10-dioxo-2-oxa-
6,9-diazabicyclo[11.2.2]heptadeca-
1(15),13,16-trien-11-yl]amino}propyl]carbamate		A,B1MTR0.73
HBBN-{(2R)-2-HYDROXY-2-[(8S,11S)-8-
ISOPROPYL-6,9-DIOXO-2-OXA-7,10-
DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-
TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE		A,B1Z1H0.81
SPIN-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-
4-BENZYLOXYCARBONYL-PIPERAZINE-
2-CARBOXAMIDE		A,B1D8F0.77
DRRA,B3BXR0.78
CCR[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-
L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-
PIPERIDINE		A1K1N0.7
CCR[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-
L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-
PIPERIDINE		H,I1YPK0.7
CBP2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-
TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-
ACETAMIDE		A,B456C0.7
CBP2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-
TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-
ACETAMIDE		A,B1CXV0.7
IH6(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-
N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-
3-CARBOXAMIDE		A,B1ZXC0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.74
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.74
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.74
MO9(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-
(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-
2-OXOETHYL MORPHOLINE-4-CARBOXYLATE		A,B2G7Y0.71
283(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-
3-THIOL		A2OI00.71
C41ALISKIRENC,O2V0Z0.71
294N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-
2H-pyran-4-carboxamide		A,B3B8Z0.71
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
NN4(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-
2-METHYLPROPANOYL]AMINO}ADAMANTANE-
1-CARBOXAMIDE		A,B,C,D,E,F,
G,H		2IRW0.72
HS3(2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-
N-oxo-propanamide		A3F160.73
PI6[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-
2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YLAMINO)-
2-HYDROXY-PROPYL] -CARBAMIC ACID TERT-
BUTYL ESTER		A,B1B6M0.73
EINA1ZS00.72
189N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-
N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-
3-YL)METHYL]ACETAMIDE		A,B1XL20.77
PI9A,B1D4L0.76
MZ9N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(4-METHOXYPHENYL)SULFONYL][(2S)-
2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE		A,B2QI70.85
PI5N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14- TRIEN-11-YLAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL)-
PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-
1-YL)-BUTYRAMIDE		A,B1B6K0.73
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE		A,B1D8M0.75
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE		A,B1G050.75
FINA1ZVX0.72
N251,3-BIS-(4-METHOXY-BENZENESULFONYL)-
5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-
2-CARBOXYLIC ACID HYDROXYAMIDE		A,B1BQO0.74
111(1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-
N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-
PYRROLIDINE		A,B1G490.77
4NH4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-
N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-
3-CARBOXAMIDE		A,B2A8H0.76
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.74
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE		A1FBL0.75
F1MN-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-
4-yl}-2-(4-sulfamoylphenoxy)acetamide		A2ZJM0.71
SPCN-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-
4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-
2R-CARBOXAMIDE		A,B1D7X0.77
TBLN-[(4-methoxyphenyl)sulfonyl]-D-
alanine		A3EHY0.72
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide		A2ZJI0.72
PI41-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-
2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14-TRIEN-11-YL)-2-
HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE		A,B1B6L0.7
ROLROLIPRAMA,B,C,D1OYN0.72
ROLROLIPRAMA,B1XMY0.72
ROLROLIPRAMA,B,C,D1Q9M0.72
ROLROLIPRAMA,B1RO60.72
ROLROLIPRAMA,B1XN00.72
ROLROLIPRAMA,B1TBB0.72
MBSA,B1HY70.72
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE		B,I2C930.71
MUVN-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-
FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-
N'-METHYLSUCCINAMIDE		A,B2PSV0.75
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL20.72
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL10.72
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE		A1ZCM0.72
G55(5R)-1,3-dioxepan-5-yl [(1S,2R)-
1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-
methylpropyl)amino}propyl]carbamate		A,B3DJK0.75
QFI({4-[(2S,3R)-2-({[(3R,3AS,6AR)-
HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-
3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID		B2I4D0.7
MM3N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-
2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-
3(S)-CARBOXAMIDE		A,B1D5J0.74
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA,B,C1Q3A0.79
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA1YCM0.79
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA2JSD0.79
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA1Z3J0.79
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA2JNP0.79
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA1RMZ0.79
5PH5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-
BENZOIC ACID		A1RWV0.71
886N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-
4-yl}sulfonyl)-D-valine		A,B,C,D2RJP0.7
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE		A,B1XN00.72