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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02203074

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HABA,B1SRE0.89
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.75
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.75
AC6P-HYDROXYACETOPHENONEA2GQ80.75
AC6P-HYDROXYACETOPHENONEX2O480.75
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.73
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.73
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.7
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.76
GAB3-AMINOBENZOIC ACIDA,B3GSB0.76
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.76
GAB3-AMINOBENZOIC ACIDA3FHB0.76
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.71
DMBA,B1SRI0.86
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
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.75
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.73
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.73
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.73
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.73
TY23-AMINO-L-TYROSINEA,B2VH30.75
MTBA,B1SRF0.85
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.71
SHASALICYLHYDROXAMIC ACIDX1V0H0.72
SHASALICYLHYDROXAMIC ACIDA2QPK0.72
SHASALICYLHYDROXAMIC ACIDA3FNL0.72
SHASALICYLHYDROXAMIC ACIDA3GCJ0.72
SHASALICYLHYDROXAMIC ACIDA1CK60.72
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.7
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.76
MOBA,B1SRH0.74
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.74
MHBA,B1SRG0.88
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.72
BRK{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-
2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-
METHOXYPHENYL)METHANONE
A2IZR0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.76
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.72
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.72
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.7
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
GBS4-GUANIDINOBENZOIC ACIDX2AH40.7
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.7
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.7
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.7
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.76
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.75
AZY3-AZIDO-L-TYROSINEA2YXN0.75
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.72
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.7
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.73
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
NABA,B1SRJ0.81
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
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.73
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.74
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.72
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.75
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.79
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.79
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.79
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.79
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.73
BE22-AMINOBENZOIC ACIDE,I1ZFP0.73
BE22-AMINOBENZOIC ACIDA,B2HU80.73
BE22-AMINOBENZOIC ACIDA,B1AN90.73
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.73
BE22-AMINOBENZOIC ACIDA,B2YR60.73
BE22-AMINOBENZOIC ACIDA,I1E8N0.73
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.73
BE22-AMINOBENZOIC ACIDA1C0I0.73
BE22-AMINOBENZOIC ACIDA,B2JB30.73
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.73
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.72
4NL4-AMINOPHENOLA2ORL0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.75
PAB4-AMINOBENZOIC ACIDA1PBD0.77
PAB4-AMINOBENZOIC ACIDB2DZA0.77
PAB4-AMINOBENZOIC ACIDA1IUS0.77
PAB4-AMINOBENZOIC ACIDA1IUU0.77
PAB4-AMINOBENZOIC ACIDA1IUT0.77
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.74