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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03465780

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
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
4PH4-methyl-L-phenylalanineB,C3BV90.7
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.8
MEAN-METHYLPHENYLALANINEA2PIL0.71
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.71
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.7
PMAPYROMELLITIC ACIDA,B1FUP0.7
3XH3-Hydroxyhippuric acidA3E9K0.75
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID		A2GG70.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.74
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.74
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		H,L1D6V0.72
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		A,B,H,L1AXS0.72
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.77
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.7
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid		A,B3EIO0.75
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		3H060.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.82
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.77
BEZBENZOIC ACIDA,B2F8D0.78
BEZBENZOIC ACIDA,B1A8U0.78
BEZBENZOIC ACIDA,B1REE0.78
BEZBENZOIC ACIDA1L7Q0.78
BEZBENZOIC ACIDA1I690.78
BEZBENZOIC ACIDH,L1RUL0.78
BEZBENZOIC ACIDA,B3CCF0.78
BEZBENZOIC ACIDA1W9Q0.78
BEZBENZOIC ACIDA,B,G,J2DU80.78
BEZBENZOIC ACIDH,L1RUA0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.78
BEZBENZOIC ACIDH,L1RU90.78
BEZBENZOIC ACIDA,B,C,D2V320.78
BEZBENZOIC ACIDA2QMQ0.78
BEZBENZOIC ACIDA1UKB0.78
BEZBENZOIC ACIDA,B1RED0.78
BEZBENZOIC ACIDA,B1OC30.78
BEZBENZOIC ACIDA,B1REF0.78
BEZBENZOIC ACIDA,B2O020.78
BEZBENZOIC ACIDA,B2VJ10.78
BEZBENZOIC ACIDA,B,C1WSP0.78
BEZBENZOIC ACIDA1HZ40.78
BEZBENZOIC ACIDA2Q380.78
BEZBENZOIC ACIDA,B,C,D1UUJ0.78
BEZBENZOIC ACIDA,B2QL80.78
BEZBENZOIC ACIDA2Q0I0.78
BEZBENZOIC ACIDA,B1S8F0.78
BEZBENZOIC ACIDD,E,F,G,H1DJR0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.78
BEZBENZOIC ACIDA,B,C,D1I7Q0.78
BEZBENZOIC ACIDA,B,C,D2RHM0.78
BEZBENZOIC ACIDA,B2F780.78
BEZBENZOIC ACIDA,B2VL20.78
BEZBENZOIC ACIDA1HD20.78
BEZBENZOIC ACIDA1JU40.78
BEZBENZOIC ACIDH,L2AJY0.78
BEZBENZOIC ACIDA,B,C3GV10.78
BEZBENZOIC ACIDA2Q6U0.78
BEZBENZOIC ACIDA,B1VE90.78
BEZBENZOIC ACIDA,B1S9A0.78
BEZBENZOIC ACIDH,L,M1OP30.78
BEZBENZOIC ACIDA1W9E0.78
BEZBENZOIC ACIDA,B,C,D2V2G0.78
BEZBENZOIC ACIDH,L2AK10.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.78
BEZBENZOIC ACIDA,B1GYX0.78
BEZBENZOIC ACIDA1V1T0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.78
BEZBENZOIC ACIDA,B1HKQ0.78
BEZBENZOIC ACIDH,L1RUK0.78
BEZBENZOIC ACIDA2Q1B0.78
BEZBENZOIC ACIDH,L1RUM0.78
BEZBENZOIC ACIDA,B2F7A0.78
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.78
BEZBENZOIC ACIDA,B2V7B0.78
BEZBENZOIC ACIDH1NCW0.78
BEZBENZOIC ACIDA,B1TMX0.78
BEZBENZOIC ACIDA1URM0.78
BEZBENZOIC ACIDA1W9O0.78
BEZBENZOIC ACIDA,B,C,D1GXS0.78
BEZBENZOIC ACIDH1RUP0.78
BEZBENZOIC ACIDA,B,C,D1KQB0.78
BEZBENZOIC ACIDA2Q9R0.78
BEZBENZOIC ACIDD,H2OK60.78
BEZBENZOIC ACIDA,B2Q0J0.78
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.76
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.76
PG9D-PHENYLGLYCINEA,B,G,H10GS0.75
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.79
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.79
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
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.7
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.72
8535-[2-ACETYLAMINO-2-(1-BIPHENYL-
4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-
ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID		A1O480.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.81
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.81
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.75
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.78
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.77
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.72
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
MBOMERCURIBENZOIC ACIDA2QO80.78
MBOMERCURIBENZOIC ACIDA1LUG0.78
MBOMERCURIBENZOIC ACIDA2HOC0.78
MBOMERCURIBENZOIC ACIDA3EFI0.78
MBOMERCURIBENZOIC ACIDA3BL00.78
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.78
MBOMERCURIBENZOIC ACIDA3CAJ0.78
MBOMERCURIBENZOIC ACIDA1DR70.78
MBOMERCURIBENZOIC ACIDA2HL40.78
MBOMERCURIBENZOIC ACIDA2GD80.78
MBOMERCURIBENZOIC ACIDA2QP60.78
MBOMERCURIBENZOIC ACIDA2HD60.78
MBOMERCURIBENZOIC ACIDA3C7P0.78
MBOMERCURIBENZOIC ACIDA,B2JHN0.78
MBOMERCURIBENZOIC ACIDA1DR60.78
MBOMERCURIBENZOIC ACIDA2HNC0.78
MBOMERCURIBENZOIC ACIDA2QOA0.78
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.7
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.72
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.9
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.74
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.7
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.71
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid		X3EJ50.73
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.73
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.73
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
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.72
173BENZOYL-FORMIC ACIDA,B1SZE0.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.77
PHTPHTHALIC ACIDA,B,C2B7P0.74
PHTPHTHALIC ACIDA3C2V0.74
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.74
PHTPHTHALIC ACIDA,B3C2R0.74
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.76
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
S2DN-BENZOYL-D-ALANINEA,B2JCI0.73
072(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-
2-HEPTYL-4-OXO-5-THIAZOLIDINE		A,B,C,D4PRG0.74
FBCA,B2B9A0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.75
GAB3-AMINOBENZOIC ACIDA,B3GSB0.75
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.75
GAB3-AMINOBENZOIC ACIDA3FHB0.75
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.88
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.7
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.82
1974-[2-ACETYLAMINO-2-(1-BIPHENYL-
4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-
ETHYL]-2-FORMYL-BENZOIC ACID		A1O4A0.7
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE		A,B2F350.7
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
4FCA1YSG0.75
OSB2-SUCCINYLBENZOATEA1FHV0.74
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.74
OSB2-SUCCINYLBENZOATEA,B2QVH0.74
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.71
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.73
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.76