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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02186677

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCIHYDROCINNAMIC ACIDA,B1BXG0.75
HCIHYDROCINNAMIC ACIDA,B1TOG0.75
HCIHYDROCINNAMIC ACIDA,B1V2F0.75
HCIHYDROCINNAMIC ACIDA,B1AHX0.75
HCIHYDROCINNAMIC ACIDA1TOI0.75
HCIHYDROCINNAMIC ACIDA,B1AY80.75
HCIHYDROCINNAMIC ACIDA1TOJ0.75
CLT4-PHENYL-BUTANOIC ACIDA1THL0.74
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.74
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.74
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.79
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.79
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.79
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.79
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
1QZV0.79
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.78
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
BDBA,B1KE30.73
HBXbenzaldehydeA,B3GDN0.8
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.75
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.74
PYLPHENYLETHANEC1B070.76
PYLPHENYLETHANEA,B2VRM0.76
PYLPHENYLETHANEA1NHB0.76
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.79
I4BISOBUTYLBENZENEA184L0.74
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.75
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.75
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.75
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
N4BN-BUTYLBENZENEA186L0.76
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.84
BZQDIPHENYLMETHANONEA,B1GT50.87
BZQDIPHENYLMETHANONEA,B1DZP0.87
3PL3-PHENYLPROPANALE1Y3G0.83
173BENZOYL-FORMIC ACIDA,B1SZE0.72
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.78
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
PXYPARA-XYLENEA187L0.76
PXYPARA-XYLENEA225L0.76
MBNTOLUENEA,B3D7O0.76
MBNTOLUENEA,B1R1X0.76
MBNTOLUENEA,B1JLX0.76
MBNTOLUENEA,B,C,D3D170.76
MBNTOLUENEA,B2VRL0.76
MBNTOLUENEA,I2Z3E0.76
MBNTOLUENEA,B1YZI0.76
MBNTOLUENEA,B2DN10.76
MBNTOLUENEA,B3EN10.76
AC01-PHENYLETHANONEA1ZK10.88
AC01-PHENYLETHANONEA1ZK40.88
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.73
1LPTRANYLCYPROMINEA,B1OJB0.78
MQ7MENAQUINONE-7C,H,L,M1PRC0.79
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.79
MQ7MENAQUINONE-7C,H,L,M5PRC0.79
MQ7MENAQUINONE-7C,H,L,M7PRC0.79
MQ7MENAQUINONE-7C,H,L,M2PRC0.79
MQ7MENAQUINONE-7C,H,L,M1R2C0.79
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.79
MQ7MENAQUINONE-7C,H,L,M3PRC0.79
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.79
MQ7MENAQUINONE-7C,H,L,M2JBL0.79
MQ7MENAQUINONE-7C,H,L,M6PRC0.79
HY1PHENYLACETALDEHYDED,H2I0S0.82
HY1PHENYLACETALDEHYDEA,B1D6Y0.82
HY1PHENYLACETALDEHYDEA,B1D6Z0.82
HY1PHENYLACETALDEHYDED,H2OK40.82
HY1PHENYLACETALDEHYDEA,B1D6U0.82
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.75
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.75
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.75
PHMPHENYLALANYLMETHANEA,I1PJP0.74
PHMPHENYLALANYLMETHANEA,B,C2J9J0.74
PHMPHENYLALANYLMETHANEA,B,C2JE40.74
MQ9MENAQUINONE-9C,H,L,M3D380.79
MQ9MENAQUINONE-9C,H,L,M1VRN0.79
MQ9MENAQUINONE-9C,H,L,M2I5N0.79
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.79
VK3MENADIONEA1TUV0.84
VK3MENADIONEA,B2QR20.84
ANQACENAPHTHENEQUINONEH,J1OAX0.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.79
FPRPROPYLBENZENEC1RHK0.76
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.7
DENINDENEA183L0.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.76
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.76
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.76
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.73
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.84
NPYNAPHTHALENEA,B1O7G0.71
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72