MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02394213

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
BXP	BETA-D-XYLOBIOPYRANOSE	A,B	2NQY	0.71
DLG	HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE	A	1WT2	0.72
DLG	HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE	A	1R7T	0.72
DLG	HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE	A	1R7U	0.72
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	B	2PL7	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	F,H	2PL6	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	1U19	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNJ	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJE	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2G87	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2PED	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNI	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJB	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNH	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2BGI	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJD	0.75
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2HPY	0.75
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A	1J2Z	0.73
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B	1VA5	0.73
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B,C,D	2VT4	0.73
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1OCJ	0.76
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1JFH	0.76
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1H5V	0.76
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1OC7	0.76
KHO	4-(3,4-DIHYDROXY-5-HYDROXYMETHYL- TETRAHYDRO-FURAN-2-YLOXY)-TETRAHYDRO- PYRAN-2,3,5-TRIOL	A,B	1QW8	0.77
X4S	beta-D-xylopyranosyl-(1->4)-4-thio- beta-D-xylopyranosyl-(1->4)-4-thio- beta-D-xylopyranosyl-(1->4)-4-thio- beta-D-xylopyranose	A	3CUI	0.74
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1KFG	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	X	2BOD	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OCJ	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1UP3	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1Q2E	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QK2	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1P6W	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1E5J	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1FCE	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	X	2BOG	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	2QNO	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1GZ1	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QM5	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1H5V	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1G9J	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OC5	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1UOZ	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QJW	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OC7	0.71
HSU	beta-D-ribofuranose	A,B	1QXB	0.74
ARW	METHYL BETA-D-ARABINOPYRANOSIDE	A,B,C,D	2BOJ	0.73
C5X	4,5-EPOXYPENTYL-BETA-D-XYLOSIDE	A,B	1RED	0.72
TMR	2,6-DIDEOXY-4-THIOMETHYL-BETA-D- RIBOHEXOPYRANOSIDE	A,B	1PIK	0.71
TCB	THIOCELLOBIOSE	A	2O9R	0.79
TCB	THIOCELLOBIOSE	A	1IEX	0.79
SSO	1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQS	0.75
BDR	BETA-D-RIBOFURANOSYL	A	1NEM	0.74
WZ1	methyl 3-S-alpha-D-mannopyranosyl- 3-thio-alpha-D-mannopyranoside	A	3BVT	0.84
10M	decyl 4-O-alpha-D-glucopyranosyl- 1-thio-beta-D-glucopyranoside	A	3C5T	0.78
10M	decyl 4-O-alpha-D-glucopyranosyl- 1-thio-beta-D-glucopyranoside	A,B	3C59	0.78
GU8	2,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRANOSE	A,B,D,I	2B5T	0.71
GU8	2,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRANOSE	H,I	1TB6	0.71
BGS	BETA-D-GLUCOPYRANOSYLSULFONYLETHANE	A	2B5Z	0.71
TDG	THIODIGALACTOSIDE	A,B	1PV7	0.7
TDG	THIODIGALACTOSIDE	A,B	1A78	0.7
TDG	THIODIGALACTOSIDE	D,E,F,G,H	1LT5	0.7
TDG	THIODIGALACTOSIDE	A,B,C,D,E	1MUQ	0.7
OPM	O1-PENTYL-MANNOSE	A,B	3GXY	0.72
C4X	3,4-EPOXYBUTYL-BETA-D-XYLOSIDE	A,B	1REE	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D	1YQ3	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1LZI	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,E,F, G,N,O,P,Q,R, S,T	1PP9	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B	2GMH	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,E,F, G,O,P,Q,R,S,T	1PPJ	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1WT1	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1WT3	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1LZJ	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W	2A06	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,N,O, P,Q	2FBW	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D	1YQ4	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D	2H89	0.72
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,N,O, P,Q	2H88	0.72
WZ3	methyl alpha-D-mannopyranosyl-(1- >3)-[6-thio-alpha-D-mannopyranosyl- (1->6)]-beta-D-mannopyranoside	A	3BVV	0.71
GTM	O1-METHYL-4-DEOXY-4-THIO-BETA-D- GLUCOSE	A,B	1OCB	0.76
GTM	O1-METHYL-4-DEOXY-4-THIO-BETA-D- GLUCOSE	A	1P6W	0.76
WZ2	methyl alpha-D-mannopyranosyl-(1- >3)-[alpha-D-mannopyranosyl-(1- >6)]-3-thio-alpha-D-mannopyranoside	A	3BVU	0.78
FSA	1-S-(carboxymethyl)-1-thio-beta- D-fructopyranose	A,B	3DJE	0.73
AHR	ALPHA-L-ARABINOFURANOSE	A	2D44	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A,B,C	2VRQ	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A,B	1PZ2	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A,B	1V6U	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A	1UR1	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A	3D61	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A	2D43	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A,B,C,D,E,F	2C7F	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A	1UR2	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A,B,C,D,E,F	2C8N	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A	3D5Z	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A	2CNC	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A	2BNJ	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A	2W5O	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A,B	1V6V	0.74
AHR	ALPHA-L-ARABINOFURANOSE	A	1WD4	0.74
AHR	ALPHA-L-ARABINOFURANOSE	B	1GYE	0.74
FUB	beta-L-arabinofuranose	A	3D61	0.74
FUB	beta-L-arabinofuranose	A	3D5Z	0.74
SUC	SUCROSE	A,C,D,E,L,N, O,P,W	3CX5	0.73
SUC	SUCROSE	A,B	1JCQ	0.73
SUC	SUCROSE	A	1ZS2	0.73
SUC	SUCROSE	A,B,C,D,E,F	2HVH	0.73
SUC	SUCROSE	A,B	2IEJ	0.73
SUC	SUCROSE	A	2C56	0.73
SUC	SUCROSE	A,D	2NY6	0.73
SUC	SUCROSE	A,B,C	2HRR	0.73
SUC	SUCROSE	A,C	1XC9	0.73
SUC	SUCROSE	P,Q,R	1A0T	0.73
SUC	SUCROSE	A,B	2BE2	0.73
SUC	SUCROSE	A	1MW3	0.73
SUC	SUCROSE	A,B,C,D	1MV8	0.73
SUC	SUCROSE	A	1MW2	0.73
SUC	SUCROSE	A,C	2HHV	0.73
SUC	SUCROSE	A	1NK4	0.73
SUC	SUCROSE	A,B,C,D	3H83	0.73
SUC	SUCROSE	A	1L3T	0.73
SUC	SUCROSE	A,D	2NY1	0.73
SUC	SUCROSE	A	2QQV	0.73
SUC	SUCROSE	A,C	2HHX	0.73
SUC	SUCROSE	A	1NJY	0.73
SUC	SUCROSE	A	2GUP	0.73
SUC	SUCROSE	A,B,P	2H6F	0.73
SUC	SUCROSE	A,C,D,E,L,N, O,P,W	3CXH	0.73
SUC	SUCROSE	A,C	1U49	0.73
SUC	SUCROSE	A,B,C	1V8X	0.73
SUC	SUCROSE	A,B,C	1IW1	0.73
SUC	SUCROSE	A,B	1MJT	0.73
SUC	SUCROSE	A,C,D	1RZG	0.73
SUC	SUCROSE	A,B,D,E	2HVI	0.73
SUC	SUCROSE	A,C	2HW3	0.73
SUC	SUCROSE	A,B	1EX2	0.73
SUC	SUCROSE	A	1NKB	0.73
SUC	SUCROSE	A,B	1X3W	0.73
SUC	SUCROSE	A,B	1M98	0.73
SUC	SUCROSE	A	1NKC	0.73
SUC	SUCROSE	A,D	2NY3	0.73
SUC	SUCROSE	A,B	3HP8	0.73
SUC	SUCROSE	A,I	1X3Z	0.73
SUC	SUCROSE	A	1NKE	0.73
SUC	SUCROSE	A,B	1YNP	0.73
SUC	SUCROSE	A	1L5U	0.73
SUC	SUCROSE	A,B	2HHS	0.73
SUC	SUCROSE	A,B	1FE4	0.73
SUC	SUCROSE	A,B	1L0G	0.73
SUC	SUCROSE	A	1L3U	0.73
SUC	SUCROSE	A	2OXB	0.73
SUC	SUCROSE	A,B,C	1IW0	0.73
SUC	SUCROSE	A,B	1LD8	0.73
SUC	SUCROSE	B	1MZC	0.73
SUC	SUCROSE	A,B	2GDU	0.73
SUC	SUCROSE	A	2ADD	0.73
SUC	SUCROSE	1	1R1A	0.73
SUC	SUCROSE	A	1JJ0	0.73
SUC	SUCROSE	B	1S63	0.73
SUC	SUCROSE	A,B,C,D	2NXZ	0.73
SUC	SUCROSE	A	1TJ4	0.73
SUC	SUCROSE	A,D	2NY4	0.73
SUC	SUCROSE	A,C	1OFS	0.73
SUC	SUCROSE	A,C	2HHU	0.73
SUC	SUCROSE	A,B	1UC2	0.73
SUC	SUCROSE	A	1NK9	0.73
SUC	SUCROSE	A,C	1UA0	0.73
SUC	SUCROSE	A	1YLJ	0.73
SUC	SUCROSE	A	2QQU	0.73
SUC	SUCROSE	A,B	1YNQ	0.73
SUC	SUCROSE	A	1L3V	0.73
SUC	SUCROSE	A,B	1TN6	0.73
SUC	SUCROSE	A	1NJZ	0.73
SUC	SUCROSE	A,B,C,D	1MUU	0.73
SUC	SUCROSE	A	1NK6	0.73
SUC	SUCROSE	A	2DVC	0.73
SUC	SUCROSE	A	1QZ6	0.73
SUC	SUCROSE	A	1MW1	0.73
SUC	SUCROSE	A,B,C,D,E,F	2HHW	0.73
SUC	SUCROSE	B	1LD7	0.73
SUC	SUCROSE	A	1NK8	0.73
SUC	SUCROSE	A	1NK7	0.73
SUC	SUCROSE	P,Q,R	1OH2	0.73
SUC	SUCROSE	A,C	2HHT	0.73
SUC	SUCROSE	A,B,P	2H6H	0.73
SUC	SUCROSE	A,B,C,D,E,F	2HRQ	0.73
SUC	SUCROSE	B,P	2H6I	0.73
SUC	SUCROSE	A,B	2HHQ	0.73
SUC	SUCROSE	B,P	2H6G	0.73
SUC	SUCROSE	A,C	1U45	0.73
SUC	SUCROSE	A	1PT2	0.73
SUC	SUCROSE	A	1JGI	0.73
SUC	SUCROSE	A	1NK0	0.73
SUC	SUCROSE	A,B	1FE0	0.73
SUC	SUCROSE	A,B,C,D,E,F	1W2T	0.73
SUC	SUCROSE	A	3CZK	0.73
SUC	SUCROSE	A,C	1U47	0.73
SUC	SUCROSE	A,B	1GNX	0.73
SUC	SUCROSE	A,B	2PWE	0.73
SUC	SUCROSE	A	1NJX	0.73
SUC	SUCROSE	A	1YLP	0.73
SUC	SUCROSE	A	2QQW	0.73
SUC	SUCROSE	A,B	1OB2	0.73
SUC	SUCROSE	A,C	1U48	0.73
SUC	SUCROSE	A	1L3S	0.73
SUC	SUCROSE	B	1SA4	0.73
SUC	SUCROSE	A	1TJ5	0.73
SUC	SUCROSE	A,B	2I5J	0.73
SUC	SUCROSE	A	1NJW	0.73
SUC	SUCROSE	A,C	1U4B	0.73
SUC	SUCROSE	A,B	1FEE	0.73
SUC	SUCROSE	G,H	2NY5	0.73
SUC	SUCROSE	A,B	2PR1	0.73
SUC	SUCROSE	B	3E37	0.73
SUC	SUCROSE	A,B	2HDS	0.73
SUC	SUCROSE	A	1NK5	0.73
SUC	SUCROSE	A	1YLT	0.73
SUC	SUCROSE	A,B,C,D,E,F, G,H,I	1XLT	0.73
SUC	SUCROSE	A,D	2NY2	0.73
SSD	1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQT	0.75
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA0	0.76
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1LBH	0.76
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1TLF	0.76
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA3	0.76
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1PX4	0.76
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C	1KRU	0.76
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	3DYO	0.76
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	2P9H	0.76
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1JYX	0.76
MA2	4-S-methyl-4-thio-alpha-D-glucopyranose	A	1JFH	0.79
RIB	RIBOSE	A	1RKD	0.74
RIB	RIBOSE	A	1QD3	0.74
RIB	RIBOSE	A,B	2C40	0.74
RIB	RIBOSE	A	1RKS	0.74
RIB	RIBOSE	A	4RHN	0.74
RIB	RIBOSE	A,B,C,D	1GQT	0.74
RIB	RIBOSE	A,B,C,D	1RK2	0.74
RIB	RIBOSE	A	1YOE	0.74
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	2PUN	0.89
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	1Z5N	0.89
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	2PYW	0.89
SMD	METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)- 2-THIO-ALPHA-D-MANNOPYRANOSIDE	A	1X9D	0.84
C3X	2,3-EPOXYPROPYL-BETA-D-XYLOSIDE	A,B	1REF	0.7
GU9	2,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRANOSE	H,I	1TB6	0.71
GU9	2,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRANOSE	A,B,D,I	2B5T	0.71
WIA	METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO- 6,2-PYRANOSIDE	A,B	1USR	0.75
WIA	METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO- 6,2-PYRANOSIDE	A,B,C	1USX	0.75
XS2	METHYL4,4II,4III,4IV-TETRATHIO- BETA-D-XYLOPENTOSIDE	A,B	1XNK	0.74
DEG	BUTYL ALPHA-D-MANNOPYRANOSIDE	A	1UWF	0.72
DEG	BUTYL ALPHA-D-MANNOPYRANOSIDE	A,B	1TR7	0.72
VAM	METHYL 4-O-(4-THIO-BETA-D-GLUCOPYRANOSYL)- BETA-D-GLUCOPYRANOSIDE	A	2VI0	0.76
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	1Y0S	0.7
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2B50	0.7
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2ZNP	0.7
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2AWH	0.7
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2ZNQ	0.7
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A	3GZ9	0.7
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,D	1QPF	0.7
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2BAW	0.7