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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00631901

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
1744-CHLORO-BENZOIC ACIDX3DLP0.72
1744-CHLORO-BENZOIC ACIDX1T5D0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
MEAN-METHYLPHENYLALANINEA2PIL0.71
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.71
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.77
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.78
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.74
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.74
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.71
46C4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-
2(1H)-yl)methyl]benzoic acid
A2ZDT0.73
MBOMERCURIBENZOIC ACIDA2QO80.79
MBOMERCURIBENZOIC ACIDA1LUG0.79
MBOMERCURIBENZOIC ACIDA2HOC0.79
MBOMERCURIBENZOIC ACIDA3EFI0.79
MBOMERCURIBENZOIC ACIDA3BL00.79
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.79
MBOMERCURIBENZOIC ACIDA3CAJ0.79
MBOMERCURIBENZOIC ACIDA1DR70.79
MBOMERCURIBENZOIC ACIDA2HL40.79
MBOMERCURIBENZOIC ACIDA2GD80.79
MBOMERCURIBENZOIC ACIDA2QP60.79
MBOMERCURIBENZOIC ACIDA2HD60.79
MBOMERCURIBENZOIC ACIDA3C7P0.79
MBOMERCURIBENZOIC ACIDA,B2JHN0.79
MBOMERCURIBENZOIC ACIDA1DR60.79
MBOMERCURIBENZOIC ACIDA2HNC0.79
MBOMERCURIBENZOIC ACIDA2QOA0.79
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.76
GAB3-AMINOBENZOIC ACIDA,B3GSB0.76
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.76
GAB3-AMINOBENZOIC ACIDA3FHB0.76
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.83
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.72
4FCA1YSG0.76
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.73
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.83
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.74
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.72
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.7
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.76
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.76
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.75
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.75
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.78
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.71
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.81
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.81
3XH3-Hydroxyhippuric acidA3E9K0.77
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.81
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.81
SHASALICYLHYDROXAMIC ACIDX1V0H0.7
SHASALICYLHYDROXAMIC ACIDA2QPK0.7
SHASALICYLHYDROXAMIC ACIDA3FNL0.7
SHASALICYLHYDROXAMIC ACIDA3GCJ0.7
SHASALICYLHYDROXAMIC ACIDA1CK60.7
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1PI50.71
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A1NXY0.71
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1MXO0.71
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1YM10.71
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.77
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.78
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
PG9D-PHENYLGLYCINEA,B,G,H10GS0.76
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.76
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.77
26CA,B2F7I0.75
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
GBS4-GUANIDINOBENZOIC ACIDX2AH40.7
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.7
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.7
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.7
4PH4-methyl-L-phenylalanineB,C3BV90.71
072(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-
2-HEPTYL-4-OXO-5-THIAZOLIDINE
A,B,C,D4PRG0.77
8522-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-
4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-
ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID
A1O440.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
PMAPYROMELLITIC ACIDA,B1FUP0.71
1974-[2-ACETYLAMINO-2-(1-BIPHENYL-
4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-
ETHYL]-2-FORMYL-BENZOIC ACID
A1O4A0.73
HTQHOMOTROPINEA,B,C2DQZ0.72
HTQHOMOTROPINEA,B,C,D,E,F1MX50.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.9
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.72
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.8
CBLCHLORAMBUCILA,B3CSJ0.71
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.74
8535-[2-ACETYLAMINO-2-(1-BIPHENYL-
4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-
ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID
A1O480.74
BCG3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID
H1QYG0.7
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.73
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid
X3EJ50.73
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.77
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.73
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.73
WH62-[(1R)-2-carboxy-1-(naphthalen-
1-ylmethyl)ethyl]-1,3-dioxo-2,3-
dihydro-1H-isoindole-5-carboxylic acid
A,B2R9X0.73
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.74
BE22-AMINOBENZOIC ACIDE,I1ZFP0.74
BE22-AMINOBENZOIC ACIDA,B2HU80.74
BE22-AMINOBENZOIC ACIDA,B1AN90.74
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.74
BE22-AMINOBENZOIC ACIDA,B2YR60.74
BE22-AMINOBENZOIC ACIDA,I1E8N0.74
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.74
BE22-AMINOBENZOIC ACIDA1C0I0.74
BE22-AMINOBENZOIC ACIDA,B2JB30.74
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.74
173BENZOYL-FORMIC ACIDA,B1SZE0.71
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.79
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.79
OSB2-SUCCINYLBENZOATEA1FHV0.75
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.75
OSB2-SUCCINYLBENZOATEA,B2QVH0.75
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.94
S2DN-BENZOYL-D-ALANINEA,B2JCI0.75
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE
A,B2F350.72
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid
A,B3EIO0.79
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.72
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid
B,E,G,H,J,L,
N,P
3H060.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.72
FBCA,B2B9A0.75
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.74
HC7(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-
4-yl]-2-hydroxy-4,4-dimethylmorpholin-
4-ium
A3FEG0.71
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
23C2-[(1R)-1-carboxy-2-naphthalen-
1-ylethyl]-1,3-dioxo-2,3-dihydro-
1H-isoindole-5-carboxylic acid
A,B2R9W0.71
BEZBENZOIC ACIDA,B2F8D0.79
BEZBENZOIC ACIDA,B1A8U0.79
BEZBENZOIC ACIDA,B1REE0.79
BEZBENZOIC ACIDA1L7Q0.79
BEZBENZOIC ACIDA1I690.79
BEZBENZOIC ACIDH,L1RUL0.79
BEZBENZOIC ACIDA,B3CCF0.79
BEZBENZOIC ACIDA1W9Q0.79
BEZBENZOIC ACIDA,B,G,J2DU80.79
BEZBENZOIC ACIDH,L1RUA0.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.79
BEZBENZOIC ACIDH,L1RU90.79
BEZBENZOIC ACIDA,B,C,D2V320.79
BEZBENZOIC ACIDA2QMQ0.79
BEZBENZOIC ACIDA1UKB0.79
BEZBENZOIC ACIDA,B1RED0.79
BEZBENZOIC ACIDA,B1OC30.79
BEZBENZOIC ACIDA,B1REF0.79
BEZBENZOIC ACIDA,B2O020.79
BEZBENZOIC ACIDA,B2VJ10.79
BEZBENZOIC ACIDA,B,C1WSP0.79
BEZBENZOIC ACIDA1HZ40.79
BEZBENZOIC ACIDA2Q380.79
BEZBENZOIC ACIDA,B,C,D1UUJ0.79
BEZBENZOIC ACIDA,B2QL80.79
BEZBENZOIC ACIDA2Q0I0.79
BEZBENZOIC ACIDA,B1S8F0.79
BEZBENZOIC ACIDD,E,F,G,H1DJR0.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.79
BEZBENZOIC ACIDA,B,C,D1I7Q0.79
BEZBENZOIC ACIDA,B,C,D2RHM0.79
BEZBENZOIC ACIDA,B2F780.79
BEZBENZOIC ACIDA,B2VL20.79
BEZBENZOIC ACIDA1HD20.79
BEZBENZOIC ACIDA1JU40.79
BEZBENZOIC ACIDH,L2AJY0.79
BEZBENZOIC ACIDA,B,C3GV10.79
BEZBENZOIC ACIDA2Q6U0.79
BEZBENZOIC ACIDA,B1VE90.79
BEZBENZOIC ACIDA,B1S9A0.79
BEZBENZOIC ACIDH,L,M1OP30.79
BEZBENZOIC ACIDA1W9E0.79
BEZBENZOIC ACIDA,B,C,D2V2G0.79
BEZBENZOIC ACIDH,L2AK10.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.79
BEZBENZOIC ACIDA,B1GYX0.79
BEZBENZOIC ACIDA1V1T0.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.79
BEZBENZOIC ACIDA,B1HKQ0.79
BEZBENZOIC ACIDH,L1RUK0.79
BEZBENZOIC ACIDA2Q1B0.79
BEZBENZOIC ACIDH,L1RUM0.79
BEZBENZOIC ACIDA,B2F7A0.79
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.79
BEZBENZOIC ACIDA,B2V7B0.79
BEZBENZOIC ACIDH1NCW0.79
BEZBENZOIC ACIDA,B1TMX0.79
BEZBENZOIC ACIDA1URM0.79
BEZBENZOIC ACIDA1W9O0.79
BEZBENZOIC ACIDA,B,C,D1GXS0.79
BEZBENZOIC ACIDH1RUP0.79
BEZBENZOIC ACIDA,B,C,D1KQB0.79
BEZBENZOIC ACIDA2Q9R0.79
BEZBENZOIC ACIDD,H2OK60.79
BEZBENZOIC ACIDA,B2Q0J0.79
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.78
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.83
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.72
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.77
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.72
PHTPHTHALIC ACIDA,B,C2B7P0.75
PHTPHTHALIC ACIDA3C2V0.75
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.75
PHTPHTHALIC ACIDA,B3C2R0.75
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.72