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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02245050

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MQ7MENAQUINONE-7C,H,L,M1PRC0.72
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.72
MQ7MENAQUINONE-7C,H,L,M5PRC0.72
MQ7MENAQUINONE-7C,H,L,M7PRC0.72
MQ7MENAQUINONE-7C,H,L,M2PRC0.72
MQ7MENAQUINONE-7C,H,L,M1R2C0.72
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.72
MQ7MENAQUINONE-7C,H,L,M3PRC0.72
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.72
MQ7MENAQUINONE-7C,H,L,M2JBL0.72
MQ7MENAQUINONE-7C,H,L,M6PRC0.72
3PL3-PHENYLPROPANALE1Y3G0.87
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
BFLA,B1Q4G0.71
IBPIBUPROFENA3FKX0.75
IBPIBUPROFENA,B2BXG0.75
IBPIBUPROFENA,B1EQG0.75
IBPIBUPROFENA,B,C2WD90.75
IBPIBUPROFENA2PWS0.75
MQ9MENAQUINONE-9C,H,L,M3D380.72
MQ9MENAQUINONE-9C,H,L,M1VRN0.72
MQ9MENAQUINONE-9C,H,L,M2I5N0.72
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.79
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.72
AC01-PHENYLETHANONEA1ZK10.75
AC01-PHENYLETHANONEA1ZK40.75
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
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID		A1NQ70.71
HY1PHENYLACETALDEHYDED,H2I0S0.86
HY1PHENYLACETALDEHYDEA,B1D6Y0.86
HY1PHENYLACETALDEHYDEA,B1D6Z0.86
HY1PHENYLACETALDEHYDED,H2OK40.86
HY1PHENYLACETALDEHYDEA,B1D6U0.86
I4BISOBUTYLBENZENEA184L0.74
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
N4BN-BUTYLBENZENEA186L0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.74
PHAPHENYLALANINALA,B1OB20.73
PHAPHENYLALANINALV,Y,Z2WDG0.73
PHAPHENYLALANINALV,Y,Z2WDK0.73
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.73
PHAPHENYLALANINALP3SGA0.73
PHAPHENYLALANINALA,B,C,D,E,F1OB50.73
PHAPHENYLALANINALV,Y,Z2WDM0.73
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.73
PHAPHENYLALANINALA,B1KDV0.73
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.73
PHAPHENYLALANINALA,B1KDY0.73
PHAPHENYLALANINALV,Y,Z3FIC0.73
PHAPHENYLALANINALV,Y,Z2WDH0.73
PHAPHENYLALANINALA,B1KE20.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.86
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.71
1LPTRANYLCYPROMINEA,B1OJB0.91
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.71
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
HBXbenzaldehydeA,B3GDN0.77
BZQDIPHENYLMETHANONEA,B1GT50.72
BZQDIPHENYLMETHANONEA,B1DZP0.72
FPRPROPYLBENZENEC1RHK0.71
VK3MENADIONEA1TUV0.72
VK3MENADIONEA,B2QR20.72