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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02876914

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID		B1N5T0.73
BHCBENZENE HEXACARBOXYLIC ACIDA,B,C,D1BQ40.73
DIC3,4-DICHLOROISOCOUMARINA1DIC0.75
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.75
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.75
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
S1ASORAPHEN AA,B3GID0.75
S1ASORAPHEN AA,B,C1W960.75
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.72
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.85
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.74
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione		A,B3C9W0.7
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.78
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.7
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid		A,B2RJR0.71
FBCA,B2B9A0.79
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.7
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.7
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.8
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.71
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
BEZBENZOIC ACIDA,B2F8D0.78
BEZBENZOIC ACIDA,B1A8U0.78
BEZBENZOIC ACIDA,B1REE0.78
BEZBENZOIC ACIDA1L7Q0.78
BEZBENZOIC ACIDA1I690.78
BEZBENZOIC ACIDH,L1RUL0.78
BEZBENZOIC ACIDA,B3CCF0.78
BEZBENZOIC ACIDA1W9Q0.78
BEZBENZOIC ACIDA,B,G,J2DU80.78
BEZBENZOIC ACIDH,L1RUA0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.78
BEZBENZOIC ACIDH,L1RU90.78
BEZBENZOIC ACIDA,B,C,D2V320.78
BEZBENZOIC ACIDA2QMQ0.78
BEZBENZOIC ACIDA1UKB0.78
BEZBENZOIC ACIDA,B1RED0.78
BEZBENZOIC ACIDA,B1OC30.78
BEZBENZOIC ACIDA,B1REF0.78
BEZBENZOIC ACIDA,B2O020.78
BEZBENZOIC ACIDA,B2VJ10.78
BEZBENZOIC ACIDA,B,C1WSP0.78
BEZBENZOIC ACIDA1HZ40.78
BEZBENZOIC ACIDA2Q380.78
BEZBENZOIC ACIDA,B,C,D1UUJ0.78
BEZBENZOIC ACIDA,B2QL80.78
BEZBENZOIC ACIDA2Q0I0.78
BEZBENZOIC ACIDA,B1S8F0.78
BEZBENZOIC ACIDD,E,F,G,H1DJR0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.78
BEZBENZOIC ACIDA,B,C,D1I7Q0.78
BEZBENZOIC ACIDA,B,C,D2RHM0.78
BEZBENZOIC ACIDA,B2F780.78
BEZBENZOIC ACIDA,B2VL20.78
BEZBENZOIC ACIDA1HD20.78
BEZBENZOIC ACIDA1JU40.78
BEZBENZOIC ACIDH,L2AJY0.78
BEZBENZOIC ACIDA,B,C3GV10.78
BEZBENZOIC ACIDA2Q6U0.78
BEZBENZOIC ACIDA,B1VE90.78
BEZBENZOIC ACIDA,B1S9A0.78
BEZBENZOIC ACIDH,L,M1OP30.78
BEZBENZOIC ACIDA1W9E0.78
BEZBENZOIC ACIDA,B,C,D2V2G0.78
BEZBENZOIC ACIDH,L2AK10.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.78
BEZBENZOIC ACIDA,B1GYX0.78
BEZBENZOIC ACIDA1V1T0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.78
BEZBENZOIC ACIDA,B1HKQ0.78
BEZBENZOIC ACIDH,L1RUK0.78
BEZBENZOIC ACIDA2Q1B0.78
BEZBENZOIC ACIDH,L1RUM0.78
BEZBENZOIC ACIDA,B2F7A0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.78
BEZBENZOIC ACIDA,B2V7B0.78
BEZBENZOIC ACIDH1NCW0.78
BEZBENZOIC ACIDA,B1TMX0.78
BEZBENZOIC ACIDA1URM0.78
BEZBENZOIC ACIDA1W9O0.78
BEZBENZOIC ACIDA,B,C,D1GXS0.78
BEZBENZOIC ACIDH1RUP0.78
BEZBENZOIC ACIDA,B,C,D1KQB0.78
BEZBENZOIC ACIDA2Q9R0.78
BEZBENZOIC ACIDD,H2OK60.78
BEZBENZOIC ACIDA,B2Q0J0.78
ZCTA,B,C,D,E,F,
G,H		3B6A0.7
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.79
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.71
ANN4-METHOXYBENZOIC ACIDA2B960.72
ANN4-METHOXYBENZOIC ACIDA2QUE0.72
ANN4-METHOXYBENZOIC ACIDA1SV30.72
ANN4-METHOXYBENZOIC ACIDA1O2E0.72
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.79
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.79
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
4FCA1YSG0.8
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.71
26CA,B2F7I0.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.78
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.77
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7
OSB2-SUCCINYLBENZOATEA1FHV0.82
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.82
OSB2-SUCCINYLBENZOATEA,B2QVH0.82
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.73
SMN(S)-MANDELIC ACIDA1MDL0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.72
MBOMERCURIBENZOIC ACIDA2QO80.78
MBOMERCURIBENZOIC ACIDA1LUG0.78
MBOMERCURIBENZOIC ACIDA2HOC0.78
MBOMERCURIBENZOIC ACIDA3EFI0.78
MBOMERCURIBENZOIC ACIDA3BL00.78
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.78
MBOMERCURIBENZOIC ACIDA3CAJ0.78
MBOMERCURIBENZOIC ACIDA1DR70.78
MBOMERCURIBENZOIC ACIDA2HL40.78
MBOMERCURIBENZOIC ACIDA2GD80.78
MBOMERCURIBENZOIC ACIDA2QP60.78
MBOMERCURIBENZOIC ACIDA2HD60.78
MBOMERCURIBENZOIC ACIDA3C7P0.78
MBOMERCURIBENZOIC ACIDA,B2JHN0.78
MBOMERCURIBENZOIC ACIDA1DR60.78
MBOMERCURIBENZOIC ACIDA2HNC0.78
MBOMERCURIBENZOIC ACIDA2QOA0.78
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.76
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.7
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.7
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE		B1O1S0.79
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
VXXVANILLATEA,B1WB60.71
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.8
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A,C,E,G1MZN0.8
OX1H,Y1LO20.73
BFLA,B1Q4G0.72
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.74
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.74
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID		A2OFF0.75
T4AC,D1KGI0.7
T4AA,B1Z7J0.7
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.73
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID		A1BZJ0.74
RMN(R)-MANDELIC ACIDA1MDL0.75
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.75
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
PMAPYROMELLITIC ACIDA,B1FUP0.79
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.8
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.76
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.7
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID		A,B1JJE0.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.71
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.77
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.74
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID		A,B1N5S0.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.79
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.73
PHTPHTHALIC ACIDA,B,C2B7P0.85
PHTPHTHALIC ACIDA3C2V0.85
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.85
PHTPHTHALIC ACIDA,B3C2R0.85
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID		A,B1JJT0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.77
MAXMATAIRESINOLA2BGM0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.71
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.73