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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00344942

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
G55(5R)-1,3-dioxepan-5-yl [(1S,2R)-
1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-
methylpropyl)amino}propyl]carbamate
A,B3DJK0.79
4NH4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-
N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-
3-CARBOXAMIDE
A,B2A8H0.75
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.7
KGQDIETHYL ({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)PHOSPHONATE
B2I4W0.72
KGQDIETHYL ({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)PHOSPHONATE
B2I4X0.72
C41ALISKIRENC,O2V0Z0.7
294N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-
2H-pyran-4-carboxamide
A,B3B8Z0.7
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,B3BXS0.74
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.72
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,B1MTR0.72
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.71
MUVN-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-
FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-
N'-METHYLSUCCINAMIDE
A,B2PSV0.81
AGGTIROFIBANA,B2VDM0.78
C5MN-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]-
2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY-
2,3,6-TRIMETHYLBENZENESULFONAMIDE
B,I2C8X0.72
LK2N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
D-GLUTAMIC ACID
A2JFF0.72
BZNN-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-
3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide
B3BHE0.7
MZ3N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(3-METHOXYPHENYL)SULFONYL](2-
THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-
2-METHYLBENZAMIDE
A,B2QI00.71
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,B1Z1R0.83
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.7
CCR[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-
L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-
PIPERIDINE
A1K1N0.72
CCR[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-
L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-
PIPERIDINE
H,I1YPK0.72
PI1A,B1B6J0.72
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,B1B6P0.73
LK3N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-
D-GLUTAMIC ACID
A2UUO0.72
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
B,I2C930.77
HS12-[[(2S)-2,3-dihydroxypropyl]-(4-
methoxyphenyl)sulfonyl-amino]-N-
oxo-ethanamide
A3F150.74
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.73
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.73
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.73
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
A2I4U0.75
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
B2I4V0.75
NOQ(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-
METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
A2F7D0.8
IH6(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-
N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-
3-CARBOXAMIDE
A,B1ZXC0.75
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA,B,C1Q3A0.77
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA1YCM0.77
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA2JSD0.77
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA1Z3J0.77
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA2JNP0.77
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA1RMZ0.77
F1MN-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-
4-yl}-2-(4-sulfamoylphenoxy)acetamide
A2ZJM0.72
MUUN-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-
METHOXYPHENYL)SULFONYL]AMINO}-2-
HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE
A,B2PSU0.88
5PH5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-
BENZOIC ACID
A1RWV0.7
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.72
MZ9N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(4-METHOXYPHENYL)SULFONYL][(2S)-
2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE
A,B2QI70.88
F1NN-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-
4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
A2ZJN0.73
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
2FZS0.73
MO9(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-
(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-
2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
A,B2G7Y0.76
MBSA,B1HY70.75
065(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-
(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-
5-SULFONAMIDO)-1-PHENYLBUTAN-2-
YLCARBAMATE
A,B2QCI0.72
065(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-
(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-
5-SULFONAMIDO)-1-PHENYLBUTAN-2-
YLCARBAMATE
A,B2QD60.72
065(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-
(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-
5-SULFONAMIDO)-1-PHENYLBUTAN-2-
YLCARBAMATE
A,B2QD80.72
065(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-
(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-
5-SULFONAMIDO)-1-PHENYLBUTAN-2-
YLCARBAMATE
A,B2Z4O0.72
065(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-
(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-
5-SULFONAMIDO)-1-PHENYLBUTAN-2-
YLCARBAMATE
A,B2QD70.72
065(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-
(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-
5-SULFONAMIDO)-1-PHENYLBUTAN-2-
YLCARBAMATE
A,B3ECG0.72
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A3TLH0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A1B110.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A6FIV0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A5FIV0.7
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A2HAH0.7
N251,3-BIS-(4-METHOXY-BENZENESULFONYL)-
5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-
2-CARBOXYLIC ACID HYDROXYAMIDE
A,B1BQO0.73
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,B1B6L0.75
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
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.71
HS3(2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-
N-oxo-propanamide
A3F160.74
SPIN-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-
4-BENZYLOXYCARBONYL-PIPERAZINE-
2-CARBOXAMIDE
A,B1D8F0.8
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,B1Z1H0.84
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJI0.75
SPCN-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-
4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-
2R-CARBOXAMIDE
A,B1D7X0.75
MM3N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-
2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-
3(S)-CARBOXAMIDE
A,B1D5J0.73
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
A,B1D8M0.77
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
A,B1G050.77
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,B1B6M0.72
EINA1ZS00.73
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.75
TBLN-[(4-methoxyphenyl)sulfonyl]-D-
alanine
A3EHY0.72
RS2N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-
TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE
A966C0.71
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,B1B6K0.72
FINA1ZVX0.73
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
B2I4D0.72
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,B3DK10.79
DRRA,B3BXR0.71
LK1N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
L-GLUTAMIC ACID
A2JFH0.72
190N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-
BROMOPHENYL)SULFONYL]-6-METHYL-
2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE
A,B1XL50.71
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.77
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.77
K2Zbenzyl [(1S)-1-{[(1S,2S)-1-ethyl-
2-hydroxy-3-{[3-(4-methylpiperazin-
1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-
3-methylbutyl]carbamate
A2R9F0.7
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2Q5K0.7
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2QHC0.7
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2RKF0.7
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
B1MUI0.7
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
B1RV70.7
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2RKG0.7
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2O4S0.7
AB1N-{1-BENZYL-4-[2-(2,6-DIMETHYL-
PHENOXY)-ACETYLAMINO]-3-HYDROXY-
5-PHENYL-PENTYL}-3-METHYL-2-(2-
OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-
BUTYRAMIDE
A,B2Z540.7
LIJBENZYL [(1S)-2-({(1S,2R)-1-BENZYL-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-
2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE
A,B,C2HIZ0.72
111(1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-
N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-
PYRROLIDINE
A,B1G490.74