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: MMs00003005

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.74
FBCA,B2B9A0.81
HCIHYDROCINNAMIC ACIDA,B1BXG0.75
HCIHYDROCINNAMIC ACIDA,B1TOG0.75
HCIHYDROCINNAMIC ACIDA,B1V2F0.75
HCIHYDROCINNAMIC ACIDA,B1AHX0.75
HCIHYDROCINNAMIC ACIDA1TOI0.75
HCIHYDROCINNAMIC ACIDA,B1AY80.75
HCIHYDROCINNAMIC ACIDA1TOJ0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.82
MBOMERCURIBENZOIC ACIDA2QO80.76
MBOMERCURIBENZOIC ACIDA1LUG0.76
MBOMERCURIBENZOIC ACIDA2HOC0.76
MBOMERCURIBENZOIC ACIDA3EFI0.76
MBOMERCURIBENZOIC ACIDA3BL00.76
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.76
MBOMERCURIBENZOIC ACIDA3CAJ0.76
MBOMERCURIBENZOIC ACIDA1DR70.76
MBOMERCURIBENZOIC ACIDA2HL40.76
MBOMERCURIBENZOIC ACIDA2GD80.76
MBOMERCURIBENZOIC ACIDA2QP60.76
MBOMERCURIBENZOIC ACIDA2HD60.76
MBOMERCURIBENZOIC ACIDA3C7P0.76
MBOMERCURIBENZOIC ACIDA,B2JHN0.76
MBOMERCURIBENZOIC ACIDA1DR60.76
MBOMERCURIBENZOIC ACIDA2HNC0.76
MBOMERCURIBENZOIC ACIDA2QOA0.76
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.73
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.75
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.76
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.76
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.78
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.78
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.78
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.78
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.75
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.75
OSB2-SUCCINYLBENZOATEA1FHV0.81
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.81
OSB2-SUCCINYLBENZOATEA,B2QVH0.81
EQIEQUILINA,B1EQU0.74
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
FLPFLURBIPROFENA,B,C,D3PGH0.78
FLPFLURBIPROFENA,B1CQE0.78
FLPFLURBIPROFENA,B1EQH0.78
FLPFLURBIPROFENA,B2AYL0.78
FLPFLURBIPROFENA1DVT0.78
FLPFLURBIPROFENA1R9O0.78
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.77
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.72
4FCA1YSG0.81
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.71
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.78
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.72
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.7
EQUEQUILENINA,B1OGX0.73
EQUEQUILENINA,B,C,D,E,F1QJG0.73
EQUEQUILENINA,B1OH00.73
EQUEQUILENINA1W6Y0.73
EQUEQUILENINA,B1CQS0.73
EQUEQUILENINA1OGZ0.73
EQUEQUILENINA1GS30.73
EQUEQUILENINA1OHO0.73
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.76
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.74
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.8
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.8
BFLA,B1Q4G0.8
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
PMAPYROMELLITIC ACIDA,B1FUP0.73
SMN(S)-MANDELIC ACIDA1MDL0.84
26CA,B2F7I0.81
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.71
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.71
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.73
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.81
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.81
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.78
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.72
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.71
7912-PHENYLMALONIC ACIDA1O4P0.75
IBPIBUPROFENA3FKX0.77
IBPIBUPROFENA,B2BXG0.77
IBPIBUPROFENA,B1EQG0.77
IBPIBUPROFENA,B,C2WD90.77
IBPIBUPROFENA2PWS0.77
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.74
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.78
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.77
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.9
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.9
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.9
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.9
RMN(R)-MANDELIC ACIDA1MDL0.84
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.84
TRZTRAZEOLIDEA1C120.72
PHTPHTHALIC ACIDA,B,C2B7P0.77
PHTPHTHALIC ACIDA3C2V0.77
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.77
PHTPHTHALIC ACIDA,B3C2R0.77
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.73
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
BZSL-BENZYLSUCCINIC ACIDA1CBX0.73
BZSL-BENZYLSUCCINIC ACIDA1HYT0.73
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.7
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.74
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.78
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.76
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.76
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.77
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.77
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
PAC2-PHENYLACETIC ACIDB1PNL0.78
PAC2-PHENYLACETIC ACIDB1K5Q0.78
PAC2-PHENYLACETIC ACIDB1FXH0.78
PAC2-PHENYLACETIC ACIDA2ISF0.78
PAC2-PHENYLACETIC ACIDA2INE0.78
OX1H,Y1LO20.77
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.71
BEZBENZOIC ACIDA,B2F8D0.76
BEZBENZOIC ACIDA,B1A8U0.76
BEZBENZOIC ACIDA,B1REE0.76
BEZBENZOIC ACIDA1L7Q0.76
BEZBENZOIC ACIDA1I690.76
BEZBENZOIC ACIDH,L1RUL0.76
BEZBENZOIC ACIDA,B3CCF0.76
BEZBENZOIC ACIDA1W9Q0.76
BEZBENZOIC ACIDA,B,G,J2DU80.76
BEZBENZOIC ACIDH,L1RUA0.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.76
BEZBENZOIC ACIDH,L1RU90.76
BEZBENZOIC ACIDA,B,C,D2V320.76
BEZBENZOIC ACIDA2QMQ0.76
BEZBENZOIC ACIDA1UKB0.76
BEZBENZOIC ACIDA,B1RED0.76
BEZBENZOIC ACIDA,B1OC30.76
BEZBENZOIC ACIDA,B1REF0.76
BEZBENZOIC ACIDA,B2O020.76
BEZBENZOIC ACIDA,B2VJ10.76
BEZBENZOIC ACIDA,B,C1WSP0.76
BEZBENZOIC ACIDA1HZ40.76
BEZBENZOIC ACIDA2Q380.76
BEZBENZOIC ACIDA,B,C,D1UUJ0.76
BEZBENZOIC ACIDA,B2QL80.76
BEZBENZOIC ACIDA2Q0I0.76
BEZBENZOIC ACIDA,B1S8F0.76
BEZBENZOIC ACIDD,E,F,G,H1DJR0.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.76
BEZBENZOIC ACIDA,B,C,D1I7Q0.76
BEZBENZOIC ACIDA,B,C,D2RHM0.76
BEZBENZOIC ACIDA,B2F780.76
BEZBENZOIC ACIDA,B2VL20.76
BEZBENZOIC ACIDA1HD20.76
BEZBENZOIC ACIDA1JU40.76
BEZBENZOIC ACIDH,L2AJY0.76
BEZBENZOIC ACIDA,B,C3GV10.76
BEZBENZOIC ACIDA2Q6U0.76
BEZBENZOIC ACIDA,B1VE90.76
BEZBENZOIC ACIDA,B1S9A0.76
BEZBENZOIC ACIDH,L,M1OP30.76
BEZBENZOIC ACIDA1W9E0.76
BEZBENZOIC ACIDA,B,C,D2V2G0.76
BEZBENZOIC ACIDH,L2AK10.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.76
BEZBENZOIC ACIDA,B1GYX0.76
BEZBENZOIC ACIDA1V1T0.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.76
BEZBENZOIC ACIDA,B1HKQ0.76
BEZBENZOIC ACIDH,L1RUK0.76
BEZBENZOIC ACIDA2Q1B0.76
BEZBENZOIC ACIDH,L1RUM0.76
BEZBENZOIC ACIDA,B2F7A0.76
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.76
BEZBENZOIC ACIDA,B2V7B0.76
BEZBENZOIC ACIDH1NCW0.76
BEZBENZOIC ACIDA,B1TMX0.76
BEZBENZOIC ACIDA1URM0.76
BEZBENZOIC ACIDA1W9O0.76
BEZBENZOIC ACIDA,B,C,D1GXS0.76
BEZBENZOIC ACIDH1RUP0.76
BEZBENZOIC ACIDA,B,C,D1KQB0.76
BEZBENZOIC ACIDA2Q9R0.76
BEZBENZOIC ACIDD,H2OK60.76
BEZBENZOIC ACIDA,B2Q0J0.76
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.75
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.76
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.76
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.76
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.76
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.76
CLT4-PHENYL-BUTANOIC ACIDA1THL0.76
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.76
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.76
4MA4-METHYLBENZOIC ACIDA,H2HRG0.77
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.72
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.72