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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03320421

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.7
CTSCASTANOSPERMINEA1EQC0.74
CTSCASTANOSPERMINEA,B2JKP0.74
CTSCASTANOSPERMINEA,B,C2VL80.74
CTSCASTANOSPERMINEA,B2CBU0.74
CTSCASTANOSPERMINEA,B2PWG0.74
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1UP20.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D3GXF0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCN0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D2NSX0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B1OIF0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCQ0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA2G9V0.71
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.78
3CUCASUARINEA,B,C,D2JJB0.74
3CUCASUARINEA3CTT0.74
HYP4-HYDROXYPROLINEA1OB40.71
HYP4-HYDROXYPROLINEA,B,C1QSU0.71
HYP4-HYDROXYPROLINEA,C,E,G,I,K,
M,O
1GK80.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.71
HYP4-HYDROXYPROLINEE,F,G,H,I,J2F6A0.71
HYP4-HYDROXYPROLINEA1TCH0.71
HYP4-HYDROXYPROLINEA1KCP0.71
HYP4-HYDROXYPROLINEA2JTU0.71
HYP4-HYDROXYPROLINEA,B,C,I,J,L,M1K830.71
HYP4-HYDROXYPROLINEA3E2Q0.71
HYP4-HYDROXYPROLINEA1TR60.71
HYP4-HYDROXYPROLINEA1P1P0.71
HYP4-HYDROXYPROLINEB,C,E,F,H,I,
K,L,M,N,O,P,
Q,R,S,T
2HOD0.71
HYP4-HYDROXYPROLINEA,B,C,D2V530.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.71
HYP4-HYDROXYPROLINEA2VUV0.71
HYP4-HYDROXYPROLINEA1EYO0.71
HYP4-HYDROXYPROLINED,H2FES0.71
HYP4-HYDROXYPROLINEA,B,E,F3EJH0.71
HYP4-HYDROXYPROLINEA2JQB0.71
HYP4-HYDROXYPROLINEA2P4L0.71
HYP4-HYDROXYPROLINEA2H9X0.71
HYP4-HYDROXYPROLINEA1AV30.71
HYP4-HYDROXYPROLINEA1TCJ0.71
HYP4-HYDROXYPROLINEA2IHA0.71
HYP4-HYDROXYPROLINEA,B,C1BKV0.71
HYP4-HYDROXYPROLINEA1R9U0.71
HYP4-HYDROXYPROLINEA1AG70.71
HYP4-HYDROXYPROLINEA1GQ00.71
HYP4-HYDROXYPROLINEA1R9I0.71
HYP4-HYDROXYPROLINEH1LM80.71
HYP4-HYDROXYPROLINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F1EI80.71
HYP4-HYDROXYPROLINEA,B,C1Q7D0.71
HYP4-HYDROXYPROLINEA1VIB0.71
HYP4-HYDROXYPROLINED,H2FEQ0.71
HYP4-HYDROXYPROLINEA1DG00.71
HYP4-HYDROXYPROLINEB,C,D,F1DZI0.71
HYP4-HYDROXYPROLINEA1GIB0.71
HYP4-HYDROXYPROLINEA,D1LQB0.71
HYP4-HYDROXYPROLINEA,B,C3DMW0.71
HYP4-HYDROXYPROLINEA2JQC0.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F1X1K0.71
HYP4-HYDROXYPROLINEA1IEO0.71
HYP4-HYDROXYPROLINED,H1NZQ0.71
HYP4-HYDROXYPROLINEA2JRY0.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.71
HYP4-HYDROXYPROLINEA,B1JOH0.71
HYP4-HYDROXYPROLINEA1PQR0.71
HYP4-HYDROXYPROLINEA1TTL0.71
HYP4-HYDROXYPROLINEA2B5Q0.71
HYP4-HYDROXYPROLINEA,B,C1CAG0.71
HYP4-HYDROXYPROLINEA2EW40.71
HYP4-HYDROXYPROLINEB,C,E,F,G,H2HLO0.71
HYP4-HYDROXYPROLINEA2YYF0.71
HYP4-HYDROXYPROLINEA1G1P0.71
HYP4-HYDROXYPROLINEA,B,D,E,H,K,
O,R,V
1UWA0.71
HYP4-HYDROXYPROLINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.71
HYP4-HYDROXYPROLINEA2VUZ0.71
HYP4-HYDROXYPROLINEA1QFB0.71
HYP4-HYDROXYPROLINED,H1O0D0.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F2D3F0.71
HYP4-HYDROXYPROLINEA2J150.71
HYP4-HYDROXYPROLINEA1DFZ0.71
HYP4-HYDROXYPROLINEA,B1OB60.71
HYP4-HYDROXYPROLINEA,B,C,I,J,L,M3CQZ0.71
HYP4-HYDROXYPROLINE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z
1IR20.71
HYP4-HYDROXYPROLINEA1TCK0.71
HYP4-HYDROXYPROLINEA1G1Z0.71
HYP4-HYDROXYPROLINEA,B,D,E,F,G1YM80.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.71
HYP4-HYDROXYPROLINEA1MTQ0.71
HYP4-HYDROXYPROLINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.71
HYP4-HYDROXYPROLINEA,B,C1V7H0.71
HYP4-HYDROXYPROLINEA,B,G2G660.71
HYP4-HYDROXYPROLINEA1OB70.71
HYP4-HYDROXYPROLINEA1OMC0.71
HYP4-HYDROXYPROLINEX2HCZ0.71
HYP4-HYDROXYPROLINEA1DFY0.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F2D3H0.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.71
HYP4-HYDROXYPROLINEA1IH90.71
HYP4-HYDROXYPROLINEA2IH60.71
HYP4-HYDROXYPROLINEA2IH70.71
HYP4-HYDROXYPROLINEA1JLP0.71
HYP4-HYDROXYPROLINEA,C,E,F2W650.71
HYP4-HYDROXYPROLINEA1AS50.71
HYP4-HYDROXYPROLINEA,B,C1V6Q0.71
HYP4-HYDROXYPROLINEA,B,C1V4F0.71
HYP4-HYDROXYPROLINEA,B,C1Y0F0.71
HYP4-HYDROXYPROLINEA,B,C2DRX0.71
HYP4-HYDROXYPROLINEA1K640.71
HYP4-HYDROXYPROLINEA,B,C1YGV0.71
HYP4-HYDROXYPROLINEA2B5P0.71
HYP4-HYDROXYPROLINEA,B,C2DRT0.71
HYP4-HYDROXYPROLINEA2CCO0.71
HYP4-HYDROXYPROLINEA1WCT0.71
HYP4-HYDROXYPROLINEA1D7T0.71
HYP4-HYDROXYPROLINEA1JLO0.71
HYP4-HYDROXYPROLINEA,B,C1CGD0.71
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.71
HYP4-HYDROXYPROLINEH,P2A2X0.71
HYP4-HYDROXYPROLINEA1DLZ0.71
HYP4-HYDROXYPROLINEA,B,C,I,J,L,
M,T
2VUM0.71
HYP4-HYDROXYPROLINEA1TCG0.71
HYP4-HYDROXYPROLINEH,P2ANK0.71
HYP4-HYDROXYPROLINEA,B,C1WZB0.71
HYP4-HYDROXYPROLINEA1BDK0.71
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.72
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.72
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.72
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.72
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.84
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.87
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.87
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.87
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.87
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.87
NOJ1-DEOXYNOJIRIMYCINA,B2J770.87
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.87
NOJ1-DEOXYNOJIRIMYCINA3GBE0.87
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.87
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.87
NOJ1-DEOXYNOJIRIMYCINA1DOG0.87
NOJ1-DEOXYNOJIRIMYCINA,B1I750.87
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.87
YRR3-HYDROXY-PYRROLIDIN-2-YLMETHYL-
MONOPHOSPHATE GROUP
A,D1F6O0.79
YRR3-HYDROXY-PYRROLIDIN-2-YLMETHYL-
MONOPHOSPHATE GROUP
D1BNK0.79
GHAA1TQU0.75
H4P1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-
L-THREO-HEXITOL
A,B1PCW0.74
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL
A1HWW0.7
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL
A3BLB0.7
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.72
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.72
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.72
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol
A,B2VL40.73
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.72
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.95
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.76
NND(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-
1-NONYLPIPERIDINE-3,4,5-TRIOL
A,B2V3E0.72
CYY2-DEOXYSTREPTAMINEA1QD30.73
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE
A,B2J790.72
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE
A,B1UWT0.72
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.95
0AZ(4R)-4-hydroxy-L-prolineA1GQ00.71
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2J750.73
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A2V3G0.73
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2VQU0.73
XIFPIPERIDINE-3,4-DIOLA1V0L0.7
XIFPIPERIDINE-3,4-DIOLA1V0N0.7
XIFPIPERIDINE-3,4-DIOLA1FH80.7
IMRIMINORIBITOLA,B,C1I800.91
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.72
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.91
NEB2-DEOXY-D-STREPTAMINEA1NEM0.73
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.7
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.78
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE
A2ALW0.73
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.77
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A,B1UWU0.72
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A3D510.72
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A1U300.72
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
M1E720.72
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A,B2J780.72
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A1U2Y0.72
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
M,N1E6S0.72
CGBCALYSTEGINE B2A,B2CBV0.85
NBV(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-
3,4,5-TRIOL
A,B2V3D0.74
HY33-HYDROXYPROLINEA,B,G2G660.7