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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03219302

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
MBNTOLUENEA,B3D7O0.7
MBNTOLUENEA,B1R1X0.7
MBNTOLUENEA,B1JLX0.7
MBNTOLUENEA,B,C,D3D170.7
MBNTOLUENEA,B2VRL0.7
MBNTOLUENEA,I2Z3E0.7
MBNTOLUENEA,B1YZI0.7
MBNTOLUENEA,B2DN10.7
MBNTOLUENEA,B3EN10.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
FPRPROPYLBENZENEC1RHK0.73
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
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
3PL3-PHENYLPROPANALE1Y3G0.79
1LPTRANYLCYPROMINEA,B1OJB0.79
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
VK3MENADIONEA1TUV0.76
VK3MENADIONEA,B2QR20.76
MQ8MENAQUINONE 8C,H,L,M1EYS0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.74
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.74
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.74
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.86
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.86
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.86
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
AC01-PHENYLETHANONEA1ZK10.84
AC01-PHENYLETHANONEA1ZK40.84
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.74
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.72
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.72
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.72
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.72
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
1QZV0.72
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.76
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
I4BISOBUTYLBENZENEA184L0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.71
N4BN-BUTYLBENZENEA186L0.73
HY1PHENYLACETALDEHYDED,H2I0S0.81
HY1PHENYLACETALDEHYDEA,B1D6Y0.81
HY1PHENYLACETALDEHYDEA,B1D6Z0.81
HY1PHENYLACETALDEHYDED,H2OK40.81
HY1PHENYLACETALDEHYDEA,B1D6U0.81
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.75
HBXbenzaldehydeA,B3GDN0.72
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.72
BZQDIPHENYLMETHANONEA,B1GT50.78
BZQDIPHENYLMETHANONEA,B1DZP0.78
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72