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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01289840

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.74
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.77
PAB4-AMINOBENZOIC ACIDA1PBD0.8
PAB4-AMINOBENZOIC ACIDB2DZA0.8
PAB4-AMINOBENZOIC ACIDA1IUS0.8
PAB4-AMINOBENZOIC ACIDA1IUU0.8
PAB4-AMINOBENZOIC ACIDA1IUT0.8
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.72
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.74
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.84
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.73
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.73
922(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-
2,7-DIOXA-4-AZA-6-PHOSPHANONAN-
9-OIC ACID 6-OXIDE		A,B,C2PJ00.71
GBS4-GUANIDINOBENZOIC ACIDX2AH40.94
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.94
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.94
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.94
MEFN-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-
hexahydroimidazo[1,5-f]pteridin-
8(9H)-yl]phenyl}carbonyl)-L-glutamic acid		A3BGX0.7
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.72
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE		E8EST0.77
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.86
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.86
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.86
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.81
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.83
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.72
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.72
FCK3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-
tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid		B3FCK0.73
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.78
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.7
11B(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-
2,7-DIOXA-4-AZA-6-PHOSPHANONAN-
9-OIC ACID 6-OXIDE		A,B,C2PJ50.72
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.76
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.72
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.73
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.78
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.7
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.7
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.73
606(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID		A,B,C2PIZ0.76
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.84
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.84
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.73
FONFOLINIC ACIDA,B1QD10.71
FONFOLINIC ACIDA,B2BLN0.71
FONFOLINIC ACIDA,B,C,D1VRQ0.71
FONFOLINIC ACIDA,B1KL20.71
FONFOLINIC ACIDA,B1XZQ0.71
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9T0.8
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.72
DHFDIHYDROFOLIC ACIDA1LCB0.72
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.72
DHFDIHYDROFOLIC ACIDA2RK10.72
DHFDIHYDROFOLIC ACIDA1RF70.72
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.72
DHFDIHYDROFOLIC ACIDA1TYS0.72
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid		X3EJ50.75
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.74
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.78
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.74
BE22-AMINOBENZOIC ACIDE,I1ZFP0.74
BE22-AMINOBENZOIC ACIDA,B2HU80.74
BE22-AMINOBENZOIC ACIDA,B1AN90.74
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.74
BE22-AMINOBENZOIC ACIDA,B2YR60.74
BE22-AMINOBENZOIC ACIDA,I1E8N0.74
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.74
BE22-AMINOBENZOIC ACIDA1C0I0.74
BE22-AMINOBENZOIC ACIDA,B2JB30.74
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.74
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.73
TGF2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-
OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-
6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
4-CARBOXY-BUTYRYLAMINO)-4-CARBOXY-
BUTYRYLAMINO]-PENTANEDIOIC ACID		A,B,C,D1LS30.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.8
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID		A,B,C1ZG80.79
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID		A2GG70.75
P202-(5-{[AMINO(IMINO)METHYL]AMINO}-
2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID		A,B,C1ZG70.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.75
GAB3-AMINOBENZOIC ACIDA,B3GSB0.75
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.75
GAB3-AMINOBENZOIC ACIDA3FHB0.75
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.72
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.72
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.72
86A(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-
HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID		A,B,C2PJ30.73
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.77
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.76