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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02363154

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.73
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.85
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.85
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.85
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.72
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		1VQ60.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.75
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		1VQP0.75
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		1VQN0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.7
SMN(S)-MANDELIC ACIDA1MDL0.72
173BENZOYL-FORMIC ACIDA,B1SZE0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.83
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.75
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
FBCA,B2B9A0.71
PMAPYROMELLITIC ACIDA,B1FUP0.72
PAC2-PHENYLACETIC ACIDB1PNL0.83
PAC2-PHENYLACETIC ACIDB1K5Q0.83
PAC2-PHENYLACETIC ACIDB1FXH0.83
PAC2-PHENYLACETIC ACIDA2ISF0.83
PAC2-PHENYLACETIC ACIDA2INE0.83
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.77
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.77
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.77
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.77
4FCA1YSG0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.77
26CA,B2F7I0.71
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.74
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.72
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.72
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.72
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.72
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.72
7912-PHENYLMALONIC ACIDA1O4P0.84
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.81
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.81
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.7
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.77
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
BFLA,B1Q4G0.82
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
BEZBENZOIC ACIDA,B2F8D0.72
BEZBENZOIC ACIDA,B1A8U0.72
BEZBENZOIC ACIDA,B1REE0.72
BEZBENZOIC ACIDA1L7Q0.72
BEZBENZOIC ACIDA1I690.72
BEZBENZOIC ACIDH,L1RUL0.72
BEZBENZOIC ACIDA,B3CCF0.72
BEZBENZOIC ACIDA1W9Q0.72
BEZBENZOIC ACIDA,B,G,J2DU80.72
BEZBENZOIC ACIDH,L1RUA0.72
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.72
BEZBENZOIC ACIDH,L1RU90.72
BEZBENZOIC ACIDA,B,C,D2V320.72
BEZBENZOIC ACIDA2QMQ0.72
BEZBENZOIC ACIDA1UKB0.72
BEZBENZOIC ACIDA,B1RED0.72
BEZBENZOIC ACIDA,B1OC30.72
BEZBENZOIC ACIDA,B1REF0.72
BEZBENZOIC ACIDA,B2O020.72
BEZBENZOIC ACIDA,B2VJ10.72
BEZBENZOIC ACIDA,B,C1WSP0.72
BEZBENZOIC ACIDA1HZ40.72
BEZBENZOIC ACIDA2Q380.72
BEZBENZOIC ACIDA,B,C,D1UUJ0.72
BEZBENZOIC ACIDA,B2QL80.72
BEZBENZOIC ACIDA2Q0I0.72
BEZBENZOIC ACIDA,B1S8F0.72
BEZBENZOIC ACIDD,E,F,G,H1DJR0.72
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.72
BEZBENZOIC ACIDA,B,C,D1I7Q0.72
BEZBENZOIC ACIDA,B,C,D2RHM0.72
BEZBENZOIC ACIDA,B2F780.72
BEZBENZOIC ACIDA,B2VL20.72
BEZBENZOIC ACIDA1HD20.72
BEZBENZOIC ACIDA1JU40.72
BEZBENZOIC ACIDH,L2AJY0.72
BEZBENZOIC ACIDA,B,C3GV10.72
BEZBENZOIC ACIDA2Q6U0.72
BEZBENZOIC ACIDA,B1VE90.72
BEZBENZOIC ACIDA,B1S9A0.72
BEZBENZOIC ACIDH,L,M1OP30.72
BEZBENZOIC ACIDA1W9E0.72
BEZBENZOIC ACIDA,B,C,D2V2G0.72
BEZBENZOIC ACIDH,L2AK10.72
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.72
BEZBENZOIC ACIDA,B1GYX0.72
BEZBENZOIC ACIDA1V1T0.72
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.72
BEZBENZOIC ACIDA,B1HKQ0.72
BEZBENZOIC ACIDH,L1RUK0.72
BEZBENZOIC ACIDA2Q1B0.72
BEZBENZOIC ACIDH,L1RUM0.72
BEZBENZOIC ACIDA,B2F7A0.72
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.72
BEZBENZOIC ACIDA,B2V7B0.72
BEZBENZOIC ACIDH1NCW0.72
BEZBENZOIC ACIDA,B1TMX0.72
BEZBENZOIC ACIDA1URM0.72
BEZBENZOIC ACIDA1W9O0.72
BEZBENZOIC ACIDA,B,C,D1GXS0.72
BEZBENZOIC ACIDH1RUP0.72
BEZBENZOIC ACIDA,B,C,D1KQB0.72
BEZBENZOIC ACIDA2Q9R0.72
BEZBENZOIC ACIDD,H2OK60.72
BEZBENZOIC ACIDA,B2Q0J0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.81
FLPFLURBIPROFENA,B,C,D3PGH0.79
FLPFLURBIPROFENA,B1CQE0.79
FLPFLURBIPROFENA,B1EQH0.79
FLPFLURBIPROFENA,B2AYL0.79
FLPFLURBIPROFENA1DVT0.79
FLPFLURBIPROFENA1R9O0.79
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.73
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.81
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.81
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.75
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.76
BZSL-BENZYLSUCCINIC ACIDA1CBX0.85
BZSL-BENZYLSUCCINIC ACIDA1HYT0.85
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.85
HCIHYDROCINNAMIC ACIDA,B1BXG0.8
HCIHYDROCINNAMIC ACIDA,B1TOG0.8
HCIHYDROCINNAMIC ACIDA,B1V2F0.8
HCIHYDROCINNAMIC ACIDA,B1AHX0.8
HCIHYDROCINNAMIC ACIDA1TOI0.8
HCIHYDROCINNAMIC ACIDA,B1AY80.8
HCIHYDROCINNAMIC ACIDA1TOJ0.8
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.73
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.79
IBPIBUPROFENA3FKX0.83
IBPIBUPROFENA,B2BXG0.83
IBPIBUPROFENA,B1EQG0.83
IBPIBUPROFENA,B,C2WD90.83
IBPIBUPROFENA2PWS0.83
PHTPHTHALIC ACIDA,B,C2B7P0.78
PHTPHTHALIC ACIDA3C2V0.78
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.78
PHTPHTHALIC ACIDA,B3C2R0.78
MBOMERCURIBENZOIC ACIDA2QO80.72
MBOMERCURIBENZOIC ACIDA1LUG0.72
MBOMERCURIBENZOIC ACIDA2HOC0.72
MBOMERCURIBENZOIC ACIDA3EFI0.72
MBOMERCURIBENZOIC ACIDA3BL00.72
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.72
MBOMERCURIBENZOIC ACIDA3CAJ0.72
MBOMERCURIBENZOIC ACIDA1DR70.72
MBOMERCURIBENZOIC ACIDA2HL40.72
MBOMERCURIBENZOIC ACIDA2GD80.72
MBOMERCURIBENZOIC ACIDA2QP60.72
MBOMERCURIBENZOIC ACIDA2HD60.72
MBOMERCURIBENZOIC ACIDA3C7P0.72
MBOMERCURIBENZOIC ACIDA,B2JHN0.72
MBOMERCURIBENZOIC ACIDA1DR60.72
MBOMERCURIBENZOIC ACIDA2HNC0.72
MBOMERCURIBENZOIC ACIDA2QOA0.72
OSB2-SUCCINYLBENZOATEA1FHV0.77
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.77
OSB2-SUCCINYLBENZOATEA,B2QVH0.77
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.79
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
CLT4-PHENYL-BUTANOIC ACIDA1THL0.79
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.79
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.79
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.73
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.77