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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02264801

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.82
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.7
173BENZOYL-FORMIC ACIDA,B1SZE0.75
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.7
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.72
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.72
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.72
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.72
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.76
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.85
HCIHYDROCINNAMIC ACIDA,B1BXG0.7
HCIHYDROCINNAMIC ACIDA,B1TOG0.7
HCIHYDROCINNAMIC ACIDA,B1V2F0.7
HCIHYDROCINNAMIC ACIDA,B1AHX0.7
HCIHYDROCINNAMIC ACIDA1TOI0.7
HCIHYDROCINNAMIC ACIDA,B1AY80.7
HCIHYDROCINNAMIC ACIDA1TOJ0.7
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.9
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.8
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.8
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.8
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.8
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
1QZV0.8
N4BN-BUTYLBENZENEA186L0.71
HBXbenzaldehydeA,B3GDN0.81
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
BZQDIPHENYLMETHANONEA,B1GT50.88
BZQDIPHENYLMETHANONEA,B1DZP0.88
AC01-PHENYLETHANONEA1ZK10.93
AC01-PHENYLETHANONEA1ZK40.93
3PL3-PHENYLPROPANALE1Y3G0.78
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.74
VK3MENADIONEA1TUV0.85
VK3MENADIONEA,B2QR20.85
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.78
MQ8MENAQUINONE 8C,H,L,M1EYS0.8
1LPTRANYLCYPROMINEA,B1OJB0.77
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
MQ9MENAQUINONE-9C,H,L,M3D380.8
MQ9MENAQUINONE-9C,H,L,M1VRN0.8
MQ9MENAQUINONE-9C,H,L,M2I5N0.8
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.8
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
4MA4-METHYLBENZOIC ACIDA,H2HRG0.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.74
FPRPROPYLBENZENEC1RHK0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.72
MQ7MENAQUINONE-7C,H,L,M1PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.8
MQ7MENAQUINONE-7C,H,L,M5PRC0.8
MQ7MENAQUINONE-7C,H,L,M7PRC0.8
MQ7MENAQUINONE-7C,H,L,M2PRC0.8
MQ7MENAQUINONE-7C,H,L,M1R2C0.8
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.8
MQ7MENAQUINONE-7C,H,L,M3PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.8
MQ7MENAQUINONE-7C,H,L,M2JBL0.8
MQ7MENAQUINONE-7C,H,L,M6PRC0.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.81
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.81
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.81
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.8
HY1PHENYLACETALDEHYDED,H2I0S0.79
HY1PHENYLACETALDEHYDEA,B1D6Y0.79
HY1PHENYLACETALDEHYDEA,B1D6Z0.79
HY1PHENYLACETALDEHYDED,H2OK40.79
HY1PHENYLACETALDEHYDEA,B1D6U0.79
ANQACENAPHTHENEQUINONEH,J1OAX0.74