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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02361057

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
BEZBENZOIC ACIDA,B2F8D0.75
BEZBENZOIC ACIDA,B1A8U0.75
BEZBENZOIC ACIDA,B1REE0.75
BEZBENZOIC ACIDA1L7Q0.75
BEZBENZOIC ACIDA1I690.75
BEZBENZOIC ACIDH,L1RUL0.75
BEZBENZOIC ACIDA,B3CCF0.75
BEZBENZOIC ACIDA1W9Q0.75
BEZBENZOIC ACIDA,B,G,J2DU80.75
BEZBENZOIC ACIDH,L1RUA0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.75
BEZBENZOIC ACIDH,L1RU90.75
BEZBENZOIC ACIDA,B,C,D2V320.75
BEZBENZOIC ACIDA2QMQ0.75
BEZBENZOIC ACIDA1UKB0.75
BEZBENZOIC ACIDA,B1RED0.75
BEZBENZOIC ACIDA,B1OC30.75
BEZBENZOIC ACIDA,B1REF0.75
BEZBENZOIC ACIDA,B2O020.75
BEZBENZOIC ACIDA,B2VJ10.75
BEZBENZOIC ACIDA,B,C1WSP0.75
BEZBENZOIC ACIDA1HZ40.75
BEZBENZOIC ACIDA2Q380.75
BEZBENZOIC ACIDA,B,C,D1UUJ0.75
BEZBENZOIC ACIDA,B2QL80.75
BEZBENZOIC ACIDA2Q0I0.75
BEZBENZOIC ACIDA,B1S8F0.75
BEZBENZOIC ACIDD,E,F,G,H1DJR0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.75
BEZBENZOIC ACIDA,B,C,D1I7Q0.75
BEZBENZOIC ACIDA,B,C,D2RHM0.75
BEZBENZOIC ACIDA,B2F780.75
BEZBENZOIC ACIDA,B2VL20.75
BEZBENZOIC ACIDA1HD20.75
BEZBENZOIC ACIDA1JU40.75
BEZBENZOIC ACIDH,L2AJY0.75
BEZBENZOIC ACIDA,B,C3GV10.75
BEZBENZOIC ACIDA2Q6U0.75
BEZBENZOIC ACIDA,B1VE90.75
BEZBENZOIC ACIDA,B1S9A0.75
BEZBENZOIC ACIDH,L,M1OP30.75
BEZBENZOIC ACIDA1W9E0.75
BEZBENZOIC ACIDA,B,C,D2V2G0.75
BEZBENZOIC ACIDH,L2AK10.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.75
BEZBENZOIC ACIDA,B1GYX0.75
BEZBENZOIC ACIDA1V1T0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.75
BEZBENZOIC ACIDA,B1HKQ0.75
BEZBENZOIC ACIDH,L1RUK0.75
BEZBENZOIC ACIDA2Q1B0.75
BEZBENZOIC ACIDH,L1RUM0.75
BEZBENZOIC ACIDA,B2F7A0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.75
BEZBENZOIC ACIDA,B2V7B0.75
BEZBENZOIC ACIDH1NCW0.75
BEZBENZOIC ACIDA,B1TMX0.75
BEZBENZOIC ACIDA1URM0.75
BEZBENZOIC ACIDA1W9O0.75
BEZBENZOIC ACIDA,B,C,D1GXS0.75
BEZBENZOIC ACIDH1RUP0.75
BEZBENZOIC ACIDA,B,C,D1KQB0.75
BEZBENZOIC ACIDA2Q9R0.75
BEZBENZOIC ACIDD,H2OK60.75
BEZBENZOIC ACIDA,B2Q0J0.75
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
2MP3,4-DIMETHYLPHENOLA1L5O0.72
SMN(S)-MANDELIC ACIDA1MDL0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
HC4A1TS60.77
HC4A3PHY0.77
HC4A3PYP0.77
HC4A1T1C0.77
HC4A1OT60.77
HC4A1TS00.77
HC4A1T1A0.77
HC4A2PYP0.77
HC4A2ZOI0.77
HC4A1OTI0.77
HC4A1XFQ0.77
HC4A2D010.77
HC4A,B,C,D,E,F,
G,H
2O7B0.77
HC4A2ZOH0.77
HC4A1GSW0.77
HC4A2QJ70.77
HC4A1F9I0.77
HC4X1UWP0.77
HC4A2PHY0.77
HC4A1T1B0.77
HC4A1F980.77
HC4A1T190.77
HC4X1UWN0.77
HC4A,B,C,D,E,F,
G,H
2O7F0.77
HC4A1UGU0.77
HC4A1TS80.77
HC4A,B1OTD0.77
HC4A1OTE0.77
HC4A1GSX0.77
HC4A1TS70.77
HC4A2PYR0.77
HC4A1S4S0.77
HC4A1GSV0.77
HC4A2I9V0.77
HC4A2QWS0.77
HC4A1XFN0.77
HC4A1S4R0.77
HC4A1T180.77
HC4A1OTA0.77
HC4A1D7E0.77
HC4A1S1Z0.77
HC4A,B,C1MZU0.77
HC4A,B1ODV0.77
HC4A,B2J3J0.77
HC4A2QJ50.77
HC4A1OTB0.77
HC4A2D020.77
HC4A1OT90.77
HC4A1NWZ0.77
HC4A1S1Y0.77
LDPL-DOPAMINEA,B2A3R0.7
LDPL-DOPAMINEA5PAH0.7
LDPL-DOPAMINEA,B2QMZ0.7
LDPL-DOPAMINEA,B2VQ50.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.74
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.74
SS11-PHENYLETHANOLH1UM50.78
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.71
PHTPHTHALIC ACIDA,B,C2B7P0.71
PHTPHTHALIC ACIDA3C2V0.71
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.71
PHTPHTHALIC ACIDA,B3C2R0.71
TYBTYROSINALA,B1KDZ0.71
TYBTYROSINALA1Q110.71
TYBTYROSINALA,B2J5B0.71
TYBTYROSINALA,I1GA40.71
TYBTYROSINALA,B,C1NLU0.71
TYBTYROSINALA,B1KE10.71
TYBTYROSINALA,B1H3F0.71
TYBTYROSINALA,B1H3E0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.8
SHASALICYLHYDROXAMIC ACIDX1V0H0.73
SHASALICYLHYDROXAMIC ACIDA2QPK0.73
SHASALICYLHYDROXAMIC ACIDA3FNL0.73
SHASALICYLHYDROXAMIC ACIDA3GCJ0.73
SHASALICYLHYDROXAMIC ACIDA1CK60.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.72
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
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.7
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.76
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.75
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.75
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.71
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.74
TYCL-TYROSINAMIDEA2BF90.74
TYCL-TYROSINAMIDEA2OCI0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
959benzyl (2-oxopropyl)carbamateA3D620.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.72
AEF4-(2-aminoethyl)phenolA3BRA0.74
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.73
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.73
2LP2-ALLYLPHENOLA1OV50.75
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.75
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.71
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.7
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.75
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.75
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
OSB2-SUCCINYLBENZOATEA1FHV0.72
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.72
OSB2-SUCCINYLBENZOATEA,B2QVH0.72
F165-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-
ONE 1,1-DIOXIDE
A2CM80.76
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
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
MBOMERCURIBENZOIC ACIDA2QO80.75
MBOMERCURIBENZOIC ACIDA1LUG0.75
MBOMERCURIBENZOIC ACIDA2HOC0.75
MBOMERCURIBENZOIC ACIDA3EFI0.75
MBOMERCURIBENZOIC ACIDA3BL00.75
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.75
MBOMERCURIBENZOIC ACIDA3CAJ0.75
MBOMERCURIBENZOIC ACIDA1DR70.75
MBOMERCURIBENZOIC ACIDA2HL40.75
MBOMERCURIBENZOIC ACIDA2GD80.75
MBOMERCURIBENZOIC ACIDA2QP60.75
MBOMERCURIBENZOIC ACIDA2HD60.75
MBOMERCURIBENZOIC ACIDA3C7P0.75
MBOMERCURIBENZOIC ACIDA,B2JHN0.75
MBOMERCURIBENZOIC ACIDA1DR60.75
MBOMERCURIBENZOIC ACIDA2HNC0.75
MBOMERCURIBENZOIC ACIDA2QOA0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.74
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
ETY4-ethylphenolA,B,C,D2RA60.75
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.71
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.73
MBD3-METHYLCATECHOLA1KNF0.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
OBZO-benzylhydroxylamineA,B3DTH0.74
OBZO-benzylhydroxylamineA,B3DTG0.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.77
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
341(3,5-difluorophenyl)methanolC3EON0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.78
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72