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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02365543

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.72
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME		A,B,C2OOW0.72
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.73
PHTPHTHALIC ACIDA,B,C2B7P0.79
PHTPHTHALIC ACIDA3C2V0.79
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.79
PHTPHTHALIC ACIDA,B3C2R0.79
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.74
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.74
PMAPYROMELLITIC ACIDA,B1FUP0.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.73
SMN(S)-MANDELIC ACIDA1MDL0.7
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.75
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.72
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
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FD00.73
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
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
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
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
3024-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-
TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-
2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID		A2HXM0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.79
173BENZOYL-FORMIC ACIDA,B1SZE0.72
26CA,B2F7I0.75
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
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
OSB2-SUCCINYLBENZOATEA1FHV0.77
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.77
OSB2-SUCCINYLBENZOATEA,B2QVH0.77
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.77
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.77
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.77
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.73
FBCA,B2B9A0.75
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.74
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.74
FCF3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-
tetrahydropyrimidin-4-yl)-3,6-dioxa-
2,7-diazaocta-1,7-dien-1-yl]benzoic acid		A3FCF0.72
4FCA1YSG0.75
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.7
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.73