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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02271917

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.7
I4BISOBUTYLBENZENEA184L0.72
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.81
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.81
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.81
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.81
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		1QZV0.81
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.74
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.74
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.79
BDBA,B1KE30.78
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.71
FPRPROPYLBENZENEC1RHK0.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.7
VK3MENADIONEA1TUV0.79
VK3MENADIONEA,B2QR20.79
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.78
MQ9MENAQUINONE-9C,H,L,M3D380.81
MQ9MENAQUINONE-9C,H,L,M1VRN0.81
MQ9MENAQUINONE-9C,H,L,M2I5N0.81
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.81
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
BZQDIPHENYLMETHANONEA,B1GT50.84
BZQDIPHENYLMETHANONEA,B1DZP0.84
MQ7MENAQUINONE-7C,H,L,M1PRC0.81
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.81
MQ7MENAQUINONE-7C,H,L,M5PRC0.81
MQ7MENAQUINONE-7C,H,L,M7PRC0.81
MQ7MENAQUINONE-7C,H,L,M2PRC0.81
MQ7MENAQUINONE-7C,H,L,M1R2C0.81
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.81
MQ7MENAQUINONE-7C,H,L,M3PRC0.81
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.81
MQ7MENAQUINONE-7C,H,L,M2JBL0.81
MQ7MENAQUINONE-7C,H,L,M6PRC0.81
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.73
3PL3-PHENYLPROPANALE1Y3G0.72
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
BFLA,B1Q4G0.72
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.79
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.71
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID		A1NQ70.74
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.72
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.76
ANQACENAPHTHENEQUINONEH,J1OAX0.75
AN3ANTHRACENEA,B2HMN0.7
AN3ANTHRACENEA,B2HMM0.7
AC01-PHENYLETHANONEA1ZK10.8
AC01-PHENYLETHANONEA1ZK40.8
N4BN-BUTYLBENZENEA186L0.72
HY1PHENYLACETALDEHYDED,H2I0S0.71
HY1PHENYLACETALDEHYDEA,B1D6Y0.71
HY1PHENYLACETALDEHYDEA,B1D6Z0.71
HY1PHENYLACETALDEHYDED,H2OK40.71
HY1PHENYLACETALDEHYDEA,B1D6U0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.72
1LPTRANYLCYPROMINEA,B1OJB0.74
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
MQ8MENAQUINONE 8C,H,L,M1EYS0.81
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.84
NPYNAPHTHALENEA,B1O7G0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.8
PEYPHENANTHRENEA,B2HML0.7
PEYPHENANTHRENEA,B2HMK0.7