MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002612

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
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.7
268	2-phenoxyethanol	A	2RBR	0.78
HFL	5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL	C,F	1KYW	0.77
IPH	PHENOL	A,B	2OLD	0.77
IPH	PHENOL	A,B,C,D	2PZV	0.77
IPH	PHENOL	A	1LI2	0.77
IPH	PHENOL	A	2J9N	0.77
IPH	PHENOL	A,B,C,D	2OMB	0.77
IPH	PHENOL	A	1JHX	0.77
IPH	PHENOL	A,B,C,D	2VE7	0.77
IPH	PHENOL	B,D,E,G,H,J,L	1AI0	0.77
IPH	PHENOL	A,B,C,D	1FOH	0.77
IPH	PHENOL	A	1V03	0.77
IPH	PHENOL	A,C,E,G,I,K	5AIY	0.77
IPH	PHENOL	B,D,F,H,J,L	1AIY	0.77
IPH	PHENOL	A,B	1XU5	0.77
IPH	PHENOL	A,B,C,D,E,G, I,K	1W8P	0.77
IPH	PHENOL	A,C,E,G,I,K	4AIY	0.77
IPH	PHENOL	A,B,C,D,E,F, G,H	1XDA	0.77
IPH	PHENOL	A	2AS3	0.77
IPH	PHENOL	A,B,C,D	1ZEG	0.77
IPH	PHENOL	A,B,C,D	1PN0	0.77
IPH	PHENOL	A,B,C,D	1XW7	0.77
IPH	PHENOL	A,C,E,G,I,K,M	1QIY	0.77
IPH	PHENOL	A,B,C,D	1Q4V	0.77
IPH	PHENOL	B	1AI7	0.77
IPH	PHENOL	A	1FJW	0.77
IPH	PHENOL	B,C,D	1RWE	0.77
IPH	PHENOL	A,B,C,D,E,G, H,I,K	1ZNJ	0.77
IPH	PHENOL	B,C,D	3GKY	0.77
IPH	PHENOL	A	1JHY	0.77
IPH	PHENOL	A,C,E,G,I,K	3AIY	0.77
IPH	PHENOL	A,B	2OMN	0.77
IPH	PHENOL	A,C,E,G,I,K	2AIY	0.77
IPH	PHENOL	A,B,D	1MPJ	0.77
IPH	PHENOL	A,B,C,D,F,G, H,J	1WAV	0.77
IPH	PHENOL	B,C,D	1LPH	0.77
PIT	PICEATANNOL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ1	0.7
ETY	4-ethylphenol	A,B,C,D	2RA6	0.71
POT	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	A	2NW6	0.71
258	(2-chloroethoxy)benzene	X	2RAY	0.73
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.75
LJ4	2,6-dibromo-4-phenoxyphenol	A,B	3CN3	0.71
4HM	4-HYDROPEROXY-2-METHOXY-PHENOL	A	1HU9	0.88
CRS	M-CRESOL	A,B,C,D	1EV3	0.72
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.72
CRS	M-CRESOL	A,B	1UZ9	0.72
CRS	M-CRESOL	A,B,C,D	1ZEH	0.72
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.72
CRS	M-CRESOL	A,C,D,E	7INS	0.72
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.72
FP2	2-fluorophenol	A	3CPO	0.74
PYG	BENZENE-1,2,3-TRIOL	A,B,C,D,E,F, G,H,I,J,K,L	1TI4	0.8
PYG	BENZENE-1,2,3-TRIOL	M,N,O,P,Q,R, S,T,U,V,W,X	1VLE	0.8
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.7
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.7
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.7
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.7
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.7
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	C,D,E	1EZV	0.72
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	A,C,D,E	1P84	0.72
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	C,D,E	2IBZ	0.72
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	A,C,D,E	1KB9	0.72
SXX	SINAPINATE	A,B	1WB4	0.75
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1EUB	0.74
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1BM6	0.74
STL	RESVERATROL	A,B	3CKL	0.74
STL	RESVERATROL	A,B,C,D	1U0W	0.74
STL	RESVERATROL	A	1CGZ	0.74
STL	RESVERATROL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JIZ	0.74
STL	RESVERATROL	A	1Z1F	0.74
STL	RESVERATROL	A	1DVS	0.74
STL	RESVERATROL	A,B	1SG0	0.74
HV7	1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE	C	1A8G	0.75
FFP	2,6-DIFLUOROPHENOL	A	2INX	0.73
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.72
IOL	4-IODOPHENOL	A,B	1EWA	0.74
CAQ	CATECHOL	B	2BUY	0.74
CAQ	CATECHOL	A	1KND	0.74
CAQ	CATECHOL	B	2BUQ	0.74
CAQ	CATECHOL	A,B	1DLT	0.74
CAQ	CATECHOL	A	1XEP	0.74
CAQ	CATECHOL	A	2PUM	0.74
BTT	BENZENE-1,2,4,5-TETROL	A,B,C,D,E,F, G,H,I,J,K,L	1TI6	0.78
BTT	BENZENE-1,2,4,5-TETROL	M,N,O,P,Q,R, S,T,U,V,W,X	1VLF	0.78
RCO	RESORCINOL	A,B,C,E,F,G, H,I,J,K	2OLY	0.85
RCO	RESORCINOL	1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y	2OM1	0.85
RCO	RESORCINOL	A,B,C,E,G,H, I,K	2OLZ	0.85
RCO	RESORCINOL	A,B,C,D,E,F	2OMH	0.85
RCO	RESORCINOL	A,B,C,E,G,H, I,J,K	2OMI	0.85
RCO	RESORCINOL	A,B,C,D,E,G, I,J,K	1EVR	0.85
RCO	RESORCINOL	A,C,E,G,I,K,M	1QIZ	0.85
RCO	RESORCINOL	1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y	2OM0	0.85
S24	S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate	A	2OSF	0.71
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN	C,D	1CJF	0.71
INK	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE	A	1HQD	0.71
WST	(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL	A,B	2POG	0.71
TH0	4-MERCAPTOBENZENE-1,3-DIOL	A	2OSF	0.76
3FA	3-FLUOROBENZENE-1,2-DIOL	A	2AS4	0.72
EPL	DIETHYL 4-METHOXYPHENYL PHOSPHATE	A	2R1N	0.75
4MU	7-hydroxy-4-methyl-2H-chromen-2- one	A,B	3ETS	0.75
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.7
BOP	1-BROMO-4-METHOXYBENZENE	C,F	1RHQ	0.74
GMN	2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N- TRIETHYLETHANAMINIUM]	A,B	1N5M	0.72
PCR	P-CRESOL	A	1JHV	0.73
PCR	P-CRESOL	A	1JHU	0.73
PCR	P-CRESOL	A,B,C,D	1DIQ	0.73
FPN	4-FLUOROPHENOL	A,B	1XVD	0.74
261	2-ethoxyphenol	X	2RB1	0.8