MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052575

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
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.76
261	2-ethoxyphenol	X	2RB1	0.91
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.76
MBD	3-METHYLCATECHOL	A	1KNF	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.85
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.71
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.71
CAQ	CATECHOL	B	2BUY	0.83
CAQ	CATECHOL	A	1KND	0.83
CAQ	CATECHOL	B	2BUQ	0.83
CAQ	CATECHOL	A,B	1DLT	0.83
CAQ	CATECHOL	A	1XEP	0.83
CAQ	CATECHOL	A	2PUM	0.83
FPN	4-FLUOROPHENOL	A,B	1XVD	0.8
SXX	SINAPINATE	A,B	1WB4	0.74
DCN	DICLOSAN	A,B,C,D	2PD4	0.77
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.72
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.72
3FA	3-FLUOROBENZENE-1,2-DIOL	A	2AS4	0.87
INK	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE	A	1HQD	0.72
HFL	5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL	C,F	1KYW	0.75
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.72
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1EUB	0.74
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1BM6	0.74
4HM	4-HYDROPEROXY-2-METHOXY-PHENOL	A	1HU9	0.85
PYG	BENZENE-1,2,3-TRIOL	A,B,C,D,E,F, G,H,I,J,K,L	1TI4	0.78
PYG	BENZENE-1,2,3-TRIOL	M,N,O,P,Q,R, S,T,U,V,W,X	1VLE	0.78
268	2-phenoxyethanol	A	2RBR	0.81
POT	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	A	2NW6	0.72
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.78
IOL	4-IODOPHENOL	A,B	1EWA	0.74
RCO	RESORCINOL	A,B,C,E,F,G, H,I,J,K	2OLY	0.73
RCO	RESORCINOL	1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y	2OM1	0.73
RCO	RESORCINOL	A,B,C,E,G,H, I,K	2OLZ	0.73
RCO	RESORCINOL	A,B,C,D,E,F	2OMH	0.73
RCO	RESORCINOL	A,B,C,E,G,H, I,J,K	2OMI	0.73
RCO	RESORCINOL	A,B,C,D,E,G, I,J,K	1EVR	0.73
RCO	RESORCINOL	A,C,E,G,I,K,M	1QIZ	0.73
RCO	RESORCINOL	1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y	2OM0	0.73
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.72
IPH	PHENOL	A,B	2OLD	0.76
IPH	PHENOL	A,B,C,D	2PZV	0.76
IPH	PHENOL	A	1LI2	0.76
IPH	PHENOL	A	2J9N	0.76
IPH	PHENOL	A,B,C,D	2OMB	0.76
IPH	PHENOL	A	1JHX	0.76
IPH	PHENOL	A,B,C,D	2VE7	0.76
IPH	PHENOL	B,D,E,G,H,J,L	1AI0	0.76
IPH	PHENOL	A,B,C,D	1FOH	0.76
IPH	PHENOL	A	1V03	0.76
IPH	PHENOL	A,C,E,G,I,K	5AIY	0.76
IPH	PHENOL	B,D,F,H,J,L	1AIY	0.76
IPH	PHENOL	A,B	1XU5	0.76
IPH	PHENOL	A,B,C,D,E,G, I,K	1W8P	0.76
IPH	PHENOL	A,C,E,G,I,K	4AIY	0.76
IPH	PHENOL	A,B,C,D,E,F, G,H	1XDA	0.76
IPH	PHENOL	A	2AS3	0.76
IPH	PHENOL	A,B,C,D	1ZEG	0.76
IPH	PHENOL	A,B,C,D	1PN0	0.76
IPH	PHENOL	A,B,C,D	1XW7	0.76
IPH	PHENOL	A,C,E,G,I,K,M	1QIY	0.76
IPH	PHENOL	A,B,C,D	1Q4V	0.76
IPH	PHENOL	B	1AI7	0.76
IPH	PHENOL	A	1FJW	0.76
IPH	PHENOL	B,C,D	1RWE	0.76
IPH	PHENOL	A,B,C,D,E,G, H,I,K	1ZNJ	0.76
IPH	PHENOL	B,C,D	3GKY	0.76
IPH	PHENOL	A	1JHY	0.76
IPH	PHENOL	A,C,E,G,I,K	3AIY	0.76
IPH	PHENOL	A,B	2OMN	0.76
IPH	PHENOL	A,C,E,G,I,K	2AIY	0.76
IPH	PHENOL	A,B,D	1MPJ	0.76
IPH	PHENOL	A,B,C,D,F,G, H,J	1WAV	0.76
IPH	PHENOL	B,C,D	1LPH	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.78
PCR	P-CRESOL	A	1JHV	0.7
PCR	P-CRESOL	A	1JHU	0.7
PCR	P-CRESOL	A,B,C,D	1DIQ	0.7
TTO	(3,4-DIHYDROXY-PHENYL)-TRIPHENYL- ARSONIUM	A	1HYZ	0.73
FFP	2,6-DIFLUOROPHENOL	A	2INX	0.78
EPL	DIETHYL 4-METHOXYPHENYL PHOSPHATE	A	2R1N	0.73
BOP	1-BROMO-4-METHOXYBENZENE	C,F	1RHQ	0.74
FP2	2-fluorophenol	A	3CPO	0.8
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.7
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.7
TCL	TRICLOSAN	A,B,C,D	2PD3	0.74
TCL	TRICLOSAN	A,B	1P45	0.74
TCL	TRICLOSAN	A,B,C,D,E,F	2B35	0.74
TCL	TRICLOSAN	A,B	1D8A	0.74
TCL	TRICLOSAN	A,B	1C14	0.74
TCL	TRICLOSAN	A,B,C,D	2QIO	0.74
TCL	TRICLOSAN	A,B	1NHG	0.74
TCL	TRICLOSAN	A	1D7O	0.74
TCL	TRICLOSAN	A,B,C,D	2O2Y	0.74
TCL	TRICLOSAN	A,B	1UH5	0.74
TCL	TRICLOSAN	A,B	2O2S	0.74
TCL	TRICLOSAN	A,B,C,D	1QG6	0.74
TCL	TRICLOSAN	A,B,C,D,E,F, G,H	1QSG	0.74
BTT	BENZENE-1,2,4,5-TETROL	A,B,C,D,E,F, G,H,I,J,K,L	1TI6	0.73
BTT	BENZENE-1,2,4,5-TETROL	M,N,O,P,Q,R, S,T,U,V,W,X	1VLF	0.73
258	(2-chloroethoxy)benzene	X	2RAY	0.71
MCT	4-METHYLCATECHOL	A	1L4G	0.75
MCT	4-METHYLCATECHOL	A	2EHZ	0.75
MCT	4-METHYLCATECHOL	A,B	1DMH	0.75