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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02315213

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1744-CHLORO-BENZOIC ACIDX3DLP0.77
1744-CHLORO-BENZOIC ACIDX1T5D0.77
IBPIBUPROFENA3FKX0.73
IBPIBUPROFENA,B2BXG0.73
IBPIBUPROFENA,B1EQG0.73
IBPIBUPROFENA,B,C2WD90.73
IBPIBUPROFENA2PWS0.73
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
BEZBENZOIC ACIDA,B2F8D0.85
BEZBENZOIC ACIDA,B1A8U0.85
BEZBENZOIC ACIDA,B1REE0.85
BEZBENZOIC ACIDA1L7Q0.85
BEZBENZOIC ACIDA1I690.85
BEZBENZOIC ACIDH,L1RUL0.85
BEZBENZOIC ACIDA,B3CCF0.85
BEZBENZOIC ACIDA1W9Q0.85
BEZBENZOIC ACIDA,B,G,J2DU80.85
BEZBENZOIC ACIDH,L1RUA0.85
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.85
BEZBENZOIC ACIDH,L1RU90.85
BEZBENZOIC ACIDA,B,C,D2V320.85
BEZBENZOIC ACIDA2QMQ0.85
BEZBENZOIC ACIDA1UKB0.85
BEZBENZOIC ACIDA,B1RED0.85
BEZBENZOIC ACIDA,B1OC30.85
BEZBENZOIC ACIDA,B1REF0.85
BEZBENZOIC ACIDA,B2O020.85
BEZBENZOIC ACIDA,B2VJ10.85
BEZBENZOIC ACIDA,B,C1WSP0.85
BEZBENZOIC ACIDA1HZ40.85
BEZBENZOIC ACIDA2Q380.85
BEZBENZOIC ACIDA,B,C,D1UUJ0.85
BEZBENZOIC ACIDA,B2QL80.85
BEZBENZOIC ACIDA2Q0I0.85
BEZBENZOIC ACIDA,B1S8F0.85
BEZBENZOIC ACIDD,E,F,G,H1DJR0.85
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.85
BEZBENZOIC ACIDA,B,C,D1I7Q0.85
BEZBENZOIC ACIDA,B,C,D2RHM0.85
BEZBENZOIC ACIDA,B2F780.85
BEZBENZOIC ACIDA,B2VL20.85
BEZBENZOIC ACIDA1HD20.85
BEZBENZOIC ACIDA1JU40.85
BEZBENZOIC ACIDH,L2AJY0.85
BEZBENZOIC ACIDA,B,C3GV10.85
BEZBENZOIC ACIDA2Q6U0.85
BEZBENZOIC ACIDA,B1VE90.85
BEZBENZOIC ACIDA,B1S9A0.85
BEZBENZOIC ACIDH,L,M1OP30.85
BEZBENZOIC ACIDA1W9E0.85
BEZBENZOIC ACIDA,B,C,D2V2G0.85
BEZBENZOIC ACIDH,L2AK10.85
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.85
BEZBENZOIC ACIDA,B1GYX0.85
BEZBENZOIC ACIDA1V1T0.85
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.85
BEZBENZOIC ACIDA,B1HKQ0.85
BEZBENZOIC ACIDH,L1RUK0.85
BEZBENZOIC ACIDA2Q1B0.85
BEZBENZOIC ACIDH,L1RUM0.85
BEZBENZOIC ACIDA,B2F7A0.85
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.85
BEZBENZOIC ACIDA,B2V7B0.85
BEZBENZOIC ACIDH1NCW0.85
BEZBENZOIC ACIDA,B1TMX0.85
BEZBENZOIC ACIDA1URM0.85
BEZBENZOIC ACIDA1W9O0.85
BEZBENZOIC ACIDA,B,C,D1GXS0.85
BEZBENZOIC ACIDH1RUP0.85
BEZBENZOIC ACIDA,B,C,D1KQB0.85
BEZBENZOIC ACIDA2Q9R0.85
BEZBENZOIC ACIDD,H2OK60.85
BEZBENZOIC ACIDA,B2Q0J0.85
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
3BZ3-chlorobenzoateX2QVZ0.77
3BZ3-chlorobenzoateX2QVX0.77
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.72
HCIHYDROCINNAMIC ACIDA,B1BXG0.73
HCIHYDROCINNAMIC ACIDA,B1TOG0.73
HCIHYDROCINNAMIC ACIDA,B1V2F0.73
HCIHYDROCINNAMIC ACIDA,B1AHX0.73
HCIHYDROCINNAMIC ACIDA1TOI0.73
HCIHYDROCINNAMIC ACIDA,B1AY80.73
HCIHYDROCINNAMIC ACIDA1TOJ0.73
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
7912-PHENYLMALONIC ACIDA1O4P0.7
OSB2-SUCCINYLBENZOATEA1FHV0.79
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.79
OSB2-SUCCINYLBENZOATEA,B2QVH0.79
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.84
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.72
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.72
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.85
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.85
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.85
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.85
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.85
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.75
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.73
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.73
PAC2-PHENYLACETIC ACIDB1PNL0.76
PAC2-PHENYLACETIC ACIDB1K5Q0.76
PAC2-PHENYLACETIC ACIDB1FXH0.76
PAC2-PHENYLACETIC ACIDA2ISF0.76
PAC2-PHENYLACETIC ACIDA2INE0.76
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.74
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.71
SMN(S)-MANDELIC ACIDA1MDL0.74
PMAPYROMELLITIC ACIDA,B1FUP0.73
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.74
SAL2-HYDROXYBENZOIC ACIDA2I300.74
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.74
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.74
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.74
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.74
SAL2-HYDROXYBENZOIC ACIDA1WYG0.74
SAL2-HYDROXYBENZOIC ACIDA1JGS0.74
SAL2-HYDROXYBENZOIC ACIDX1M6E0.74
SAL2-HYDROXYBENZOIC ACIDA3B9M0.74
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.74
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.74
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.74
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.72
PHTPHTHALIC ACIDA,B,C2B7P0.8
PHTPHTHALIC ACIDA3C2V0.8
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.8
PHTPHTHALIC ACIDA,B3C2R0.8
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.75
3HB3-HYDROXYBENZOIC ACIDA2DKH0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
C21THIOPHENE-2-CARBOXYLIC ACIDA,B2HDQ0.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.77
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.7
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.8
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.74
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.84
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.84
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.8
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.8
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.84
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.71
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.71
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
FBCA,B2B9A0.77
34Z3,4-dichlorobenzoateX2QVY0.74
34Z3,4-dichlorobenzoateX2QW00.74
BFLA,B1Q4G0.72
4FCA1YSG0.78
PHBP-HYDROXYBENZOIC ACIDA1CJ40.74
PHBP-HYDROXYBENZOIC ACIDA1DOB0.74
PHBP-HYDROXYBENZOIC ACIDA1PXB0.74
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.74
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.74
PHBP-HYDROXYBENZOIC ACIDA1IUV0.74
PHBP-HYDROXYBENZOIC ACIDA1PBE0.74
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.74
PHBP-HYDROXYBENZOIC ACIDA1PDH0.74
PHBP-HYDROXYBENZOIC ACIDB2BUW0.74
PHBP-HYDROXYBENZOIC ACIDA1CC40.74
PHBP-HYDROXYBENZOIC ACIDA1CC60.74
PHBP-HYDROXYBENZOIC ACIDA1IUW0.74
PHBP-HYDROXYBENZOIC ACIDA1FW90.74
PHBP-HYDROXYBENZOIC ACIDA1G810.74
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.74
PHBP-HYDROXYBENZOIC ACIDA1IUX0.74
PHBP-HYDROXYBENZOIC ACIDA1CJ30.74
PHBP-HYDROXYBENZOIC ACIDA1D7L0.74
PHBP-HYDROXYBENZOIC ACIDA2PHH0.74
PHBP-HYDROXYBENZOIC ACIDA1BGN0.74
PHBP-HYDROXYBENZOIC ACIDA1PXA0.74
PHBP-HYDROXYBENZOIC ACIDA1DOC0.74
PHBP-HYDROXYBENZOIC ACIDA1K0I0.74
PHBP-HYDROXYBENZOIC ACIDA1BKW0.74
PHBP-HYDROXYBENZOIC ACIDA1JD30.74
PHBP-HYDROXYBENZOIC ACIDA1PXC0.74
PHBP-HYDROXYBENZOIC ACIDA1TT80.74
PHBP-HYDROXYBENZOIC ACIDA1CJ20.74
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.74
PHBP-HYDROXYBENZOIC ACIDA1BF30.74
PHBP-HYDROXYBENZOIC ACIDB2BUR0.74
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
RP4(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-
(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-
1-CARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2CJF0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
MBOMERCURIBENZOIC ACIDA2QO80.85
MBOMERCURIBENZOIC ACIDA1LUG0.85
MBOMERCURIBENZOIC ACIDA2HOC0.85
MBOMERCURIBENZOIC ACIDA3EFI0.85
MBOMERCURIBENZOIC ACIDA3BL00.85
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.85
MBOMERCURIBENZOIC ACIDA3CAJ0.85
MBOMERCURIBENZOIC ACIDA1DR70.85
MBOMERCURIBENZOIC ACIDA2HL40.85
MBOMERCURIBENZOIC ACIDA2GD80.85
MBOMERCURIBENZOIC ACIDA2QP60.85
MBOMERCURIBENZOIC ACIDA2HD60.85
MBOMERCURIBENZOIC ACIDA3C7P0.85
MBOMERCURIBENZOIC ACIDA,B2JHN0.85
MBOMERCURIBENZOIC ACIDA1DR60.85
MBOMERCURIBENZOIC ACIDA2HNC0.85
MBOMERCURIBENZOIC ACIDA2QOA0.85
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.76
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.75
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.75
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.95
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.95
4MA4-METHYLBENZOIC ACIDA,H2HRG0.86
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.7
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.72
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
26CA,B2F7I0.77
ISFA,B1PGE0.79