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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004463

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
MBOMERCURIBENZOIC ACIDA2QO80.71
MBOMERCURIBENZOIC ACIDA1LUG0.71
MBOMERCURIBENZOIC ACIDA2HOC0.71
MBOMERCURIBENZOIC ACIDA3EFI0.71
MBOMERCURIBENZOIC ACIDA3BL00.71
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.71
MBOMERCURIBENZOIC ACIDA3CAJ0.71
MBOMERCURIBENZOIC ACIDA1DR70.71
MBOMERCURIBENZOIC ACIDA2HL40.71
MBOMERCURIBENZOIC ACIDA2GD80.71
MBOMERCURIBENZOIC ACIDA2QP60.71
MBOMERCURIBENZOIC ACIDA2HD60.71
MBOMERCURIBENZOIC ACIDA3C7P0.71
MBOMERCURIBENZOIC ACIDA,B2JHN0.71
MBOMERCURIBENZOIC ACIDA1DR60.71
MBOMERCURIBENZOIC ACIDA2HNC0.71
MBOMERCURIBENZOIC ACIDA2QOA0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.83
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.83
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.73
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.73
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.77
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.86
IBRA9EST0.76
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.84
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.87
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.75
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.75
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.75
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.75
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.75
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.74
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.84
MTBA,B1SRF0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.84
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.84
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.84
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.75
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.75
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.76
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.87
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.76
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.7
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.77
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.75
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.78
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID
A,B,C1ZG80.7
SX12-amino-5-bromobenzoic acidA,B3CIZ0.79
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
GBS4-GUANIDINOBENZOIC ACIDX2AH40.82
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.82
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.82
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.82
MHBA,B1SRG0.76
TY23-AMINO-L-TYROSINEA,B2VH30.74
DMBA,B1SRI0.75
3AB3-aminobenzamideA,B,C,D3GOY0.75
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.82
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.8
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.8
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.79
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.76
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.76
4NB4-NITROBENZOIC ACIDA,B3CHT0.84
SOAISATOIC ANHYDRIDEA1BIO0.73
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.93
PAB4-AMINOBENZOIC ACIDB2DZA0.93
PAB4-AMINOBENZOIC ACIDA1IUS0.93
PAB4-AMINOBENZOIC ACIDA1IUU0.93
PAB4-AMINOBENZOIC ACIDA1IUT0.93
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.77
AZY3-AZIDO-L-TYROSINEA2YXN0.73
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.8
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9T0.76
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.92
GAB3-AMINOBENZOIC ACIDA,B3GSB0.92
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.92
GAB3-AMINOBENZOIC ACIDA3FHB0.92
BEZBENZOIC ACIDA,B2F8D0.71
BEZBENZOIC ACIDA,B1A8U0.71
BEZBENZOIC ACIDA,B1REE0.71
BEZBENZOIC ACIDA1L7Q0.71
BEZBENZOIC ACIDA1I690.71
BEZBENZOIC ACIDH,L1RUL0.71
BEZBENZOIC ACIDA,B3CCF0.71
BEZBENZOIC ACIDA1W9Q0.71
BEZBENZOIC ACIDA,B,G,J2DU80.71
BEZBENZOIC ACIDH,L1RUA0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.71
BEZBENZOIC ACIDH,L1RU90.71
BEZBENZOIC ACIDA,B,C,D2V320.71
BEZBENZOIC ACIDA2QMQ0.71
BEZBENZOIC ACIDA1UKB0.71
BEZBENZOIC ACIDA,B1RED0.71
BEZBENZOIC ACIDA,B1OC30.71
BEZBENZOIC ACIDA,B1REF0.71
BEZBENZOIC ACIDA,B2O020.71
BEZBENZOIC ACIDA,B2VJ10.71
BEZBENZOIC ACIDA,B,C1WSP0.71
BEZBENZOIC ACIDA1HZ40.71
BEZBENZOIC ACIDA2Q380.71
BEZBENZOIC ACIDA,B,C,D1UUJ0.71
BEZBENZOIC ACIDA,B2QL80.71
BEZBENZOIC ACIDA2Q0I0.71
BEZBENZOIC ACIDA,B1S8F0.71
BEZBENZOIC ACIDD,E,F,G,H1DJR0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.71
BEZBENZOIC ACIDA,B,C,D1I7Q0.71
BEZBENZOIC ACIDA,B,C,D2RHM0.71
BEZBENZOIC ACIDA,B2F780.71
BEZBENZOIC ACIDA,B2VL20.71
BEZBENZOIC ACIDA1HD20.71
BEZBENZOIC ACIDA1JU40.71
BEZBENZOIC ACIDH,L2AJY0.71
BEZBENZOIC ACIDA,B,C3GV10.71
BEZBENZOIC ACIDA2Q6U0.71
BEZBENZOIC ACIDA,B1VE90.71
BEZBENZOIC ACIDA,B1S9A0.71
BEZBENZOIC ACIDH,L,M1OP30.71
BEZBENZOIC ACIDA1W9E0.71
BEZBENZOIC ACIDA,B,C,D2V2G0.71
BEZBENZOIC ACIDH,L2AK10.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.71
BEZBENZOIC ACIDA,B1GYX0.71
BEZBENZOIC ACIDA1V1T0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.71
BEZBENZOIC ACIDA,B1HKQ0.71
BEZBENZOIC ACIDH,L1RUK0.71
BEZBENZOIC ACIDA2Q1B0.71
BEZBENZOIC ACIDH,L1RUM0.71
BEZBENZOIC ACIDA,B2F7A0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.71
BEZBENZOIC ACIDA,B2V7B0.71
BEZBENZOIC ACIDH1NCW0.71
BEZBENZOIC ACIDA,B1TMX0.71
BEZBENZOIC ACIDA1URM0.71
BEZBENZOIC ACIDA1W9O0.71
BEZBENZOIC ACIDA,B,C,D1GXS0.71
BEZBENZOIC ACIDH1RUP0.71
BEZBENZOIC ACIDA,B,C,D1KQB0.71
BEZBENZOIC ACIDA2Q9R0.71
BEZBENZOIC ACIDD,H2OK60.71
BEZBENZOIC ACIDA,B2Q0J0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.77
HABA,B1SRE0.76
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.81
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.81
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.81
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.85
BE22-AMINOBENZOIC ACIDE,I1ZFP0.85
BE22-AMINOBENZOIC ACIDA,B2HU80.85
BE22-AMINOBENZOIC ACIDA,B1AN90.85
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.85
BE22-AMINOBENZOIC ACIDA,B2YR60.85
BE22-AMINOBENZOIC ACIDA,I1E8N0.85
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.85
BE22-AMINOBENZOIC ACIDA1C0I0.85
BE22-AMINOBENZOIC ACIDA,B2JB30.85
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.85
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.84
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.75
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.71
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.71
KYNKYNURENINEA,B,C,D2R2N0.74
KYNKYNURENINEA,B3E2Z0.74
KYNKYNURENINEA1XT70.74
KYNKYNURENINEA1T5M0.74
KYNKYNURENINEA1T5N0.74
KYNKYNURENINEA2VOV0.74
KYNKYNURENINEA2VOX0.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.7
YOL[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-
)-N,N',O,O']-IRON
A,B1WZF0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.89
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE
E8EST0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.75