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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00879526

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.7
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.7
AIJ(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL		A1XP90.71
TDZ(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-
TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-
2,4-DIONE		A,B2QM90.72
TDZ(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-
TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-
2,4-DIONE		A2VN00.72
NFN6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE		A1T9W0.75
PNV(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-
(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-
2-CARBOXYLIC ACID		A,C2Z710.75
PNV(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-
(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-
2-CARBOXYLIC ACID		A2EX90.75
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.7
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,B1Z1R0.71
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.71
T333,3'-DEIODO-THYROXINEA,B1THA0.71
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.71
VRX(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-
4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-
YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID		A,B2HWI0.72
CNE(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-
3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-
3-OXOPROP-1-ENYL]PHENYL}ACETYL)-
D-VALYL]AMINO}-4-OXOPENTANOIC ACID		A1RHR0.7
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.7
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.74
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,B1B6P0.72
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE		A1TFT0.71
AIT(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL		A1XPC0.71
MC1METHICILLIN ACYL-SERINEA,B1MWU0.75
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.74
PI8N-13-[(10S,13S)-9,12-DIOXO-10-(2-
BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-
15,17,18-TRIENE] (2R)-BENZYL-(4S)-
HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-
(2S)-INDANEAMIDE		A,B1D4K0.74
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
INZ2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-
2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-
3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID		A1G7F0.71
NHNA,C2GVF0.7
DRRA,B3BXR0.72
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,B3BXS0.77
MBSA,B1HY70.71
TOLTOLRESTATA2PDL0.72
TOLTOLRESTATA2FZD0.72
TOLTOLRESTATA2FZB0.72
TOLTOLRESTATA1AH30.72
TOLTOLRESTATX1ZUA0.72
TOLTOLRESTATA1AE40.72
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR		A1QF00.7
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide		A2ZJI0.71
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL20.79
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL10.79
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid		A3CHS0.71
CRVN-[1-(AMINOMETHYL)CYCLOPROPYL]-
3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-
TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-
L-ALANINAMIDE		A,B2FRA0.72
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE		A,B,C,D2FHK0.71
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE		A,B,C,D2FHJ0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.71
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.77
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.77
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,B1Z1H0.73
AGGTIROFIBANA,B2VDM0.79
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
AXL2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-
ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID		B1LL90.77
006(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-
2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-
2-hydroxy-2,3-dihydro-1H-inden-
1-yl]-5,5-dimethyl-1,3-thiazolidine-
4-carboxamide		A,B,C,D3FNU0.75
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		2FZS0.71
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.71
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,B1B6K0.73
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER		H1UVU0.75
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.76
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.74
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,C2HIZ0.78
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.7
DPDA,B1QIW0.72
DPDA1QIV0.72
PI1A,B1B6J0.71
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.79