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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02184692

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.8
IBPIBUPROFENA3FKX0.73
IBPIBUPROFENA,B2BXG0.73
IBPIBUPROFENA,B1EQG0.73
IBPIBUPROFENA,B,C2WD90.73
IBPIBUPROFENA2PWS0.73
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.78
MQ8MENAQUINONE 8C,H,L,M1EYS0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.78
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.78
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.78
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.76
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.76
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.8
BFLA,B1Q4G0.71
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.74
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.74
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.8
SS11-PHENYLETHANOLH1UM50.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
BZQDIPHENYLMETHANONEA,B1GT50.8
BZQDIPHENYLMETHANONEA,B1DZP0.8
1LPTRANYLCYPROMINEA,B1OJB0.79
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.73
MQ7MENAQUINONE-7C,H,L,M1PRC0.74
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.74
MQ7MENAQUINONE-7C,H,L,M5PRC0.74
MQ7MENAQUINONE-7C,H,L,M7PRC0.74
MQ7MENAQUINONE-7C,H,L,M2PRC0.74
MQ7MENAQUINONE-7C,H,L,M1R2C0.74
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.74
MQ7MENAQUINONE-7C,H,L,M3PRC0.74
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.74
MQ7MENAQUINONE-7C,H,L,M2JBL0.74
MQ7MENAQUINONE-7C,H,L,M6PRC0.74
SMN(S)-MANDELIC ACIDA1MDL0.74
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
HBXbenzaldehydeA,B3GDN0.79
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.8
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.75
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.75
BDBA,B1KE30.7
MQ9MENAQUINONE-9C,H,L,M3D380.74
MQ9MENAQUINONE-9C,H,L,M1VRN0.74
MQ9MENAQUINONE-9C,H,L,M2I5N0.74
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.74
N4BN-BUTYLBENZENEA186L0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.77
AC01-PHENYLETHANONEA1ZK10.84
AC01-PHENYLETHANONEA1ZK40.84
OSB2-SUCCINYLBENZOATEA1FHV0.7
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.7
OSB2-SUCCINYLBENZOATEA,B2QVH0.7
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.74
ANQACENAPHTHENEQUINONEH,J1OAX0.7
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.71
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
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
7912-PHENYLMALONIC ACIDA1O4P0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.8
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.76
BZSL-BENZYLSUCCINIC ACIDA1CBX0.74
BZSL-BENZYLSUCCINIC ACIDA1HYT0.74
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.74
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.77
HY1PHENYLACETALDEHYDED,H2I0S0.83
HY1PHENYLACETALDEHYDEA,B1D6Y0.83
HY1PHENYLACETALDEHYDEA,B1D6Z0.83
HY1PHENYLACETALDEHYDED,H2OK40.83
HY1PHENYLACETALDEHYDEA,B1D6U0.83
CLT4-PHENYL-BUTANOIC ACIDA1THL0.8
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.8
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.8
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.71
VK3MENADIONEA1TUV0.78
VK3MENADIONEA,B2QR20.78
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.8
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.8
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.8
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.8
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
PAC2-PHENYLACETIC ACIDB1PNL0.78
PAC2-PHENYLACETIC ACIDB1K5Q0.78
PAC2-PHENYLACETIC ACIDB1FXH0.78
PAC2-PHENYLACETIC ACIDA2ISF0.78
PAC2-PHENYLACETIC ACIDA2INE0.78
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.74
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.74
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.74
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.74
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z		1QZV0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.8
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.77
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
PHAPHENYLALANINALA,B1OB20.7
PHAPHENYLALANINALV,Y,Z2WDG0.7
PHAPHENYLALANINALV,Y,Z2WDK0.7
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.7
PHAPHENYLALANINALP3SGA0.7
PHAPHENYLALANINALA,B,C,D,E,F1OB50.7
PHAPHENYLALANINALV,Y,Z2WDM0.7
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.7
PHAPHENYLALANINALA,B1KDV0.7
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.7
PHAPHENYLALANINALA,B1KDY0.7
PHAPHENYLALANINALV,Y,Z3FIC0.7
PHAPHENYLALANINALV,Y,Z2WDH0.7
PHAPHENYLALANINALA,B1KE20.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.77
FPRPROPYLBENZENEC1RHK0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.76
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		1VQ60.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.79
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		1VQP0.79
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		1VQN0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.79
3PL3-PHENYLPROPANALE1Y3G0.84