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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008205

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
1LPTRANYLCYPROMINEA,B1OJB0.88
3PL3-PHENYLPROPANALE1Y3G0.87
VK3MENADIONEA1TUV0.8
VK3MENADIONEA,B2QR20.8
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.87
MQ9MENAQUINONE-9C,H,L,M3D380.78
MQ9MENAQUINONE-9C,H,L,M1VRN0.78
MQ9MENAQUINONE-9C,H,L,M2I5N0.78
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.78
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
MQ7MENAQUINONE-7C,H,L,M1PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.78
MQ7MENAQUINONE-7C,H,L,M5PRC0.78
MQ7MENAQUINONE-7C,H,L,M7PRC0.78
MQ7MENAQUINONE-7C,H,L,M2PRC0.78
MQ7MENAQUINONE-7C,H,L,M1R2C0.78
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.78
MQ7MENAQUINONE-7C,H,L,M3PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.78
MQ7MENAQUINONE-7C,H,L,M2JBL0.78
MQ7MENAQUINONE-7C,H,L,M6PRC0.78
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
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.77
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.77
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.77
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
N4BN-BUTYLBENZENEA186L0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.78
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
AC01-PHENYLETHANONEA1ZK10.88
AC01-PHENYLETHANONEA1ZK40.88
HBXbenzaldehydeA,B3GDN0.93
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
I4BISOBUTYLBENZENEA184L0.71
BZQDIPHENYLMETHANONEA,B1GT50.85
BZQDIPHENYLMETHANONEA,B1DZP0.85
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.78
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.78
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.78
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.78
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		1QZV0.78
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.8
173BENZOYL-FORMIC ACIDA,B1SZE0.71
HY1PHENYLACETALDEHYDED,H2I0S0.88
HY1PHENYLACETALDEHYDEA,B1D6Y0.88
HY1PHENYLACETALDEHYDEA,B1D6Z0.88
HY1PHENYLACETALDEHYDED,H2OK40.88
HY1PHENYLACETALDEHYDEA,B1D6U0.88
BHOBENZHYDROXAMIC ACIDA,B1GX20.71
BHOBENZHYDROXAMIC ACIDA1HSR0.71
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.71
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.71
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.71
BHOBENZHYDROXAMIC ACIDA3GCK0.71
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.71
FPRPROPYLBENZENEC1RHK0.71
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.7
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.78
ANQACENAPHTHENEQUINONEH,J1OAX0.74
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.84