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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007669

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
MHBA,B1SRG0.82
GBS4-GUANIDINOBENZOIC ACIDX2AH40.76
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.76
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.76
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.76
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.83
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.83
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.83
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.84
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.74
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.74
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.74
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.74
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.74
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.74
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.74
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.7
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.72
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.74
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.74
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.8
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.8
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.83
C9P4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-
2-yl]sulfonyl}amino)benzoic acid
A,B3BM60.73
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.73
KYNKYNURENINEA,B,C,D2R2N0.79
KYNKYNURENINEA,B3E2Z0.79
KYNKYNURENINEA1XT70.79
KYNKYNURENINEA1T5M0.79
KYNKYNURENINEA1T5N0.79
KYNKYNURENINEA2VOV0.79
KYNKYNURENINEA2VOX0.79
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.74
3AB3-aminobenzamideA,B,C,D3GOY0.7
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.73
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.75
4FCA1YSG0.71
PHTPHTHALIC ACIDA,B,C2B7P0.71
PHTPHTHALIC ACIDA3C2V0.71
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.71
PHTPHTHALIC ACIDA,B3C2R0.71
BEZBENZOIC ACIDA,B2F8D0.74
BEZBENZOIC ACIDA,B1A8U0.74
BEZBENZOIC ACIDA,B1REE0.74
BEZBENZOIC ACIDA1L7Q0.74
BEZBENZOIC ACIDA1I690.74
BEZBENZOIC ACIDH,L1RUL0.74
BEZBENZOIC ACIDA,B3CCF0.74
BEZBENZOIC ACIDA1W9Q0.74
BEZBENZOIC ACIDA,B,G,J2DU80.74
BEZBENZOIC ACIDH,L1RUA0.74
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.74
BEZBENZOIC ACIDH,L1RU90.74
BEZBENZOIC ACIDA,B,C,D2V320.74
BEZBENZOIC ACIDA2QMQ0.74
BEZBENZOIC ACIDA1UKB0.74
BEZBENZOIC ACIDA,B1RED0.74
BEZBENZOIC ACIDA,B1OC30.74
BEZBENZOIC ACIDA,B1REF0.74
BEZBENZOIC ACIDA,B2O020.74
BEZBENZOIC ACIDA,B2VJ10.74
BEZBENZOIC ACIDA,B,C1WSP0.74
BEZBENZOIC ACIDA1HZ40.74
BEZBENZOIC ACIDA2Q380.74
BEZBENZOIC ACIDA,B,C,D1UUJ0.74
BEZBENZOIC ACIDA,B2QL80.74
BEZBENZOIC ACIDA2Q0I0.74
BEZBENZOIC ACIDA,B1S8F0.74
BEZBENZOIC ACIDD,E,F,G,H1DJR0.74
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.74
BEZBENZOIC ACIDA,B,C,D1I7Q0.74
BEZBENZOIC ACIDA,B,C,D2RHM0.74
BEZBENZOIC ACIDA,B2F780.74
BEZBENZOIC ACIDA,B2VL20.74
BEZBENZOIC ACIDA1HD20.74
BEZBENZOIC ACIDA1JU40.74
BEZBENZOIC ACIDH,L2AJY0.74
BEZBENZOIC ACIDA,B,C3GV10.74
BEZBENZOIC ACIDA2Q6U0.74
BEZBENZOIC ACIDA,B1VE90.74
BEZBENZOIC ACIDA,B1S9A0.74
BEZBENZOIC ACIDH,L,M1OP30.74
BEZBENZOIC ACIDA1W9E0.74
BEZBENZOIC ACIDA,B,C,D2V2G0.74
BEZBENZOIC ACIDH,L2AK10.74
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.74
BEZBENZOIC ACIDA,B1GYX0.74
BEZBENZOIC ACIDA1V1T0.74
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.74
BEZBENZOIC ACIDA,B1HKQ0.74
BEZBENZOIC ACIDH,L1RUK0.74
BEZBENZOIC ACIDA2Q1B0.74
BEZBENZOIC ACIDH,L1RUM0.74
BEZBENZOIC ACIDA,B2F7A0.74
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.74
BEZBENZOIC ACIDA,B2V7B0.74
BEZBENZOIC ACIDH1NCW0.74
BEZBENZOIC ACIDA,B1TMX0.74
BEZBENZOIC ACIDA1URM0.74
BEZBENZOIC ACIDA1W9O0.74
BEZBENZOIC ACIDA,B,C,D1GXS0.74
BEZBENZOIC ACIDH1RUP0.74
BEZBENZOIC ACIDA,B,C,D1KQB0.74
BEZBENZOIC ACIDA2Q9R0.74
BEZBENZOIC ACIDD,H2OK60.74
BEZBENZOIC ACIDA,B2Q0J0.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.87
GAB3-AMINOBENZOIC ACIDA,B3GSB0.87
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.87
GAB3-AMINOBENZOIC ACIDA3FHB0.87
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
TY23-AMINO-L-TYROSINEA,B2VH30.72
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.78
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.8
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.82
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.77
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.73
SNHA,B2D410.71
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.8
DMBA,B1SRI0.84
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.7
NABA,B1SRJ0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.76
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.71
PG9D-PHENYLGLYCINEA,B,G,H10GS0.73
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.73
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.76
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.78
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid
X3EJ50.71
FIH5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID
A,B2D3Z0.71
AZY3-AZIDO-L-TYROSINEA2YXN0.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.78
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.78
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.78
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.78
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.78
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.74
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.74
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.75
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.75
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.73
SX12-amino-5-bromobenzoic acidA,B3CIZ0.85
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
PAB4-AMINOBENZOIC ACIDA1PBD0.85
PAB4-AMINOBENZOIC ACIDB2DZA0.85
PAB4-AMINOBENZOIC ACIDA1IUS0.85
PAB4-AMINOBENZOIC ACIDA1IUU0.85
PAB4-AMINOBENZOIC ACIDA1IUT0.85
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.7
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.7
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.73
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.8
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.8
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.8
FBCA,B2B9A0.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.75
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.83
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.83
IBRA9EST0.72
HABA,B1SRE0.82
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
MTBA,B1SRF0.79
SOAISATOIC ANHYDRIDEA1BIO0.75
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.81
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.93
BE22-AMINOBENZOIC ACIDE,I1ZFP0.93
BE22-AMINOBENZOIC ACIDA,B2HU80.93
BE22-AMINOBENZOIC ACIDA,B1AN90.93
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.93
BE22-AMINOBENZOIC ACIDA,B2YR60.93
BE22-AMINOBENZOIC ACIDA,I1E8N0.93
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.93
BE22-AMINOBENZOIC ACIDA1C0I0.93
BE22-AMINOBENZOIC ACIDA,B2JB30.93
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.93
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.83
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.79
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID
A1YW90.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.76
26CA,B2F7I0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.78
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.79
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.76
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.71
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.75
SHASALICYLHYDROXAMIC ACIDX1V0H0.71
SHASALICYLHYDROXAMIC ACIDA2QPK0.71
SHASALICYLHYDROXAMIC ACIDA3FNL0.71
SHASALICYLHYDROXAMIC ACIDA3GCJ0.71
SHASALICYLHYDROXAMIC ACIDA1CK60.71
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.82
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.8
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.8
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.8
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.84
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.85
MBOMERCURIBENZOIC ACIDA2QO80.74
MBOMERCURIBENZOIC ACIDA1LUG0.74
MBOMERCURIBENZOIC ACIDA2HOC0.74
MBOMERCURIBENZOIC ACIDA3EFI0.74
MBOMERCURIBENZOIC ACIDA3BL00.74
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.74
MBOMERCURIBENZOIC ACIDA3CAJ0.74
MBOMERCURIBENZOIC ACIDA1DR70.74
MBOMERCURIBENZOIC ACIDA2HL40.74
MBOMERCURIBENZOIC ACIDA2GD80.74
MBOMERCURIBENZOIC ACIDA2QP60.74
MBOMERCURIBENZOIC ACIDA2HD60.74
MBOMERCURIBENZOIC ACIDA3C7P0.74
MBOMERCURIBENZOIC ACIDA,B2JHN0.74
MBOMERCURIBENZOIC ACIDA1DR60.74
MBOMERCURIBENZOIC ACIDA2HNC0.74
MBOMERCURIBENZOIC ACIDA2QOA0.74
BRV5-amino-2,4,6-tribromobenzene-1,3-
dicarboxylic acid
A3GT30.72