MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02286231

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANQACENAPHTHENEQUINONEH,J1OAX0.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.74
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
EQIEQUILINA,B1EQU0.73
SMN(S)-MANDELIC ACIDA1MDL0.72
3CAA,B2B770.7
BHCBENZENE HEXACARBOXYLIC ACIDA,B,C,D1BQ40.73
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.87
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.87
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.75
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.76
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.73
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.8
FLPFLURBIPROFENA,B,C,D3PGH0.77
FLPFLURBIPROFENA,B1CQE0.77
FLPFLURBIPROFENA,B1EQH0.77
FLPFLURBIPROFENA,B2AYL0.77
FLPFLURBIPROFENA1DVT0.77
FLPFLURBIPROFENA1R9O0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.75
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.83
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.83
EQUEQUILENINA,B1OGX0.75
EQUEQUILENINA,B,C,D,E,F1QJG0.75
EQUEQUILENINA,B1OH00.75
EQUEQUILENINA1W6Y0.75
EQUEQUILENINA,B1CQS0.75
EQUEQUILENINA1OGZ0.75
EQUEQUILENINA1GS30.75
EQUEQUILENINA1OHO0.75
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.74
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.77
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.7
SAL2-HYDROXYBENZOIC ACIDA2I300.7
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.7
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.7
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.7
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.7
SAL2-HYDROXYBENZOIC ACIDA1WYG0.7
SAL2-HYDROXYBENZOIC ACIDA1JGS0.7
SAL2-HYDROXYBENZOIC ACIDX1M6E0.7
SAL2-HYDROXYBENZOIC ACIDA3B9M0.7
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.7
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.7
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.7
4FCA1YSG0.87
PHTPHTHALIC ACIDA,B,C2B7P0.81
PHTPHTHALIC ACIDA3C2V0.81
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.81
PHTPHTHALIC ACIDA,B3C2R0.81
4MA4-METHYLBENZOIC ACIDA,H2HRG0.83
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
BFLA,B1Q4G0.79
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.86
173BENZOYL-FORMIC ACIDA,B1SZE0.74
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.75
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,G1MZN0.75
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.75
PHBP-HYDROXYBENZOIC ACIDA1CJ40.71
PHBP-HYDROXYBENZOIC ACIDA1DOB0.71
PHBP-HYDROXYBENZOIC ACIDA1PXB0.71
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.71
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.71
PHBP-HYDROXYBENZOIC ACIDA1IUV0.71
PHBP-HYDROXYBENZOIC ACIDA1PBE0.71
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.71
PHBP-HYDROXYBENZOIC ACIDA1PDH0.71
PHBP-HYDROXYBENZOIC ACIDB2BUW0.71
PHBP-HYDROXYBENZOIC ACIDA1CC40.71
PHBP-HYDROXYBENZOIC ACIDA1CC60.71
PHBP-HYDROXYBENZOIC ACIDA1IUW0.71
PHBP-HYDROXYBENZOIC ACIDA1FW90.71
PHBP-HYDROXYBENZOIC ACIDA1G810.71
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.71
PHBP-HYDROXYBENZOIC ACIDA1IUX0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ30.71
PHBP-HYDROXYBENZOIC ACIDA1D7L0.71
PHBP-HYDROXYBENZOIC ACIDA2PHH0.71
PHBP-HYDROXYBENZOIC ACIDA1BGN0.71
PHBP-HYDROXYBENZOIC ACIDA1PXA0.71
PHBP-HYDROXYBENZOIC ACIDA1DOC0.71
PHBP-HYDROXYBENZOIC ACIDA1K0I0.71
PHBP-HYDROXYBENZOIC ACIDA1BKW0.71
PHBP-HYDROXYBENZOIC ACIDA1JD30.71
PHBP-HYDROXYBENZOIC ACIDA1PXC0.71
PHBP-HYDROXYBENZOIC ACIDA1TT80.71
PHBP-HYDROXYBENZOIC ACIDA1CJ20.71
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.71
PHBP-HYDROXYBENZOIC ACIDA1BF30.71
PHBP-HYDROXYBENZOIC ACIDB2BUR0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.75
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.71
TRZTRAZEOLIDEA1C120.82
HCIHYDROCINNAMIC ACIDA,B1BXG0.7
HCIHYDROCINNAMIC ACIDA,B1TOG0.7
HCIHYDROCINNAMIC ACIDA,B1V2F0.7
HCIHYDROCINNAMIC ACIDA,B1AHX0.7
HCIHYDROCINNAMIC ACIDA1TOI0.7
HCIHYDROCINNAMIC ACIDA,B1AY80.7
HCIHYDROCINNAMIC ACIDA1TOJ0.7
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.76
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.76
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.79
DFADIPHENYLACETIC ACIDA,B,C1GMY0.79
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.76
MBOMERCURIBENZOIC ACIDA2QO80.8
MBOMERCURIBENZOIC ACIDA1LUG0.8
MBOMERCURIBENZOIC ACIDA2HOC0.8
MBOMERCURIBENZOIC ACIDA3EFI0.8
MBOMERCURIBENZOIC ACIDA3BL00.8
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.8
MBOMERCURIBENZOIC ACIDA3CAJ0.8
MBOMERCURIBENZOIC ACIDA1DR70.8
MBOMERCURIBENZOIC ACIDA2HL40.8
MBOMERCURIBENZOIC ACIDA2GD80.8
MBOMERCURIBENZOIC ACIDA2QP60.8
MBOMERCURIBENZOIC ACIDA2HD60.8
MBOMERCURIBENZOIC ACIDA3C7P0.8
MBOMERCURIBENZOIC ACIDA,B2JHN0.8
MBOMERCURIBENZOIC ACIDA1DR60.8
MBOMERCURIBENZOIC ACIDA2HNC0.8
MBOMERCURIBENZOIC ACIDA2QOA0.8
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
OSB2-SUCCINYLBENZOATEA1FHV0.83
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.83
OSB2-SUCCINYLBENZOATEA,B2QVH0.83
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.74
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
IBPIBUPROFENA3FKX0.77
IBPIBUPROFENA,B2BXG0.77
IBPIBUPROFENA,B1EQG0.77
IBPIBUPROFENA,B,C2WD90.77
IBPIBUPROFENA2PWS0.77
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.73
3HB3-HYDROXYBENZOIC ACIDA2DKH0.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.77
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
7912-PHENYLMALONIC ACIDA1O4P0.73
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.74
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.73
OX1H,Y1LO20.74
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.72
FBCA,B2B9A0.86
PAC2-PHENYLACETIC ACIDB1PNL0.73
PAC2-PHENYLACETIC ACIDB1K5Q0.73
PAC2-PHENYLACETIC ACIDB1FXH0.73
PAC2-PHENYLACETIC ACIDA2ISF0.73
PAC2-PHENYLACETIC ACIDA2INE0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
BEZBENZOIC ACIDA,B2F8D0.8
BEZBENZOIC ACIDA,B1A8U0.8
BEZBENZOIC ACIDA,B1REE0.8
BEZBENZOIC ACIDA1L7Q0.8
BEZBENZOIC ACIDA1I690.8
BEZBENZOIC ACIDH,L1RUL0.8
BEZBENZOIC ACIDA,B3CCF0.8
BEZBENZOIC ACIDA1W9Q0.8
BEZBENZOIC ACIDA,B,G,J2DU80.8
BEZBENZOIC ACIDH,L1RUA0.8
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.8
BEZBENZOIC ACIDH,L1RU90.8
BEZBENZOIC ACIDA,B,C,D2V320.8
BEZBENZOIC ACIDA2QMQ0.8
BEZBENZOIC ACIDA1UKB0.8
BEZBENZOIC ACIDA,B1RED0.8
BEZBENZOIC ACIDA,B1OC30.8
BEZBENZOIC ACIDA,B1REF0.8
BEZBENZOIC ACIDA,B2O020.8
BEZBENZOIC ACIDA,B2VJ10.8
BEZBENZOIC ACIDA,B,C1WSP0.8
BEZBENZOIC ACIDA1HZ40.8
BEZBENZOIC ACIDA2Q380.8
BEZBENZOIC ACIDA,B,C,D1UUJ0.8
BEZBENZOIC ACIDA,B2QL80.8
BEZBENZOIC ACIDA2Q0I0.8
BEZBENZOIC ACIDA,B1S8F0.8
BEZBENZOIC ACIDD,E,F,G,H1DJR0.8
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.8
BEZBENZOIC ACIDA,B,C,D1I7Q0.8
BEZBENZOIC ACIDA,B,C,D2RHM0.8
BEZBENZOIC ACIDA,B2F780.8
BEZBENZOIC ACIDA,B2VL20.8
BEZBENZOIC ACIDA1HD20.8
BEZBENZOIC ACIDA1JU40.8
BEZBENZOIC ACIDH,L2AJY0.8
BEZBENZOIC ACIDA,B,C3GV10.8
BEZBENZOIC ACIDA2Q6U0.8
BEZBENZOIC ACIDA,B1VE90.8
BEZBENZOIC ACIDA,B1S9A0.8
BEZBENZOIC ACIDH,L,M1OP30.8
BEZBENZOIC ACIDA1W9E0.8
BEZBENZOIC ACIDA,B,C,D2V2G0.8
BEZBENZOIC ACIDH,L2AK10.8
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.8
BEZBENZOIC ACIDA,B1GYX0.8
BEZBENZOIC ACIDA1V1T0.8
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.8
BEZBENZOIC ACIDA,B1HKQ0.8
BEZBENZOIC ACIDH,L1RUK0.8
BEZBENZOIC ACIDA2Q1B0.8
BEZBENZOIC ACIDH,L1RUM0.8
BEZBENZOIC ACIDA,B2F7A0.8
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.8
BEZBENZOIC ACIDA,B2V7B0.8
BEZBENZOIC ACIDH1NCW0.8
BEZBENZOIC ACIDA,B1TMX0.8
BEZBENZOIC ACIDA1URM0.8
BEZBENZOIC ACIDA1W9O0.8
BEZBENZOIC ACIDA,B,C,D1GXS0.8
BEZBENZOIC ACIDH1RUP0.8
BEZBENZOIC ACIDA,B,C,D1KQB0.8
BEZBENZOIC ACIDA2Q9R0.8
BEZBENZOIC ACIDD,H2OK60.8
BEZBENZOIC ACIDA,B2Q0J0.8
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.71
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.71
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.8
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.8
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.8
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.8
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.8
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.72
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.78
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.78
26CA,B2F7I0.86
PMAPYROMELLITIC ACIDA,B1FUP0.8
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.75
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID
A,D1RDT0.72
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.88
DIC3,4-DICHLOROISOCOUMARINA1DIC0.71
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.8
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.82
34Z3,4-dichlorobenzoateX2QVY0.7
34Z3,4-dichlorobenzoateX2QW00.7
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.77
FHIA,B1Y1D0.73
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.79
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.79
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.79
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.79
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.79
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.79
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.73
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.74
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.76
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.79
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.79