MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022068

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
FP2	2-fluorophenol	A	3CPO	0.72
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.72
HPS	PHENYL DIHYDROGEN PHOSPHATE	A	1O4O	0.74
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1EUB	0.8
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1BM6	0.8
INK	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE	A	1HQD	0.74
261	2-ethoxyphenol	X	2RB1	0.74
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.73
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.73
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.73
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.73
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.73
IPH	PHENOL	A,B	2OLD	0.75
IPH	PHENOL	A,B,C,D	2PZV	0.75
IPH	PHENOL	A	1LI2	0.75
IPH	PHENOL	A	2J9N	0.75
IPH	PHENOL	A,B,C,D	2OMB	0.75
IPH	PHENOL	A	1JHX	0.75
IPH	PHENOL	A,B,C,D	2VE7	0.75
IPH	PHENOL	B,D,E,G,H,J,L	1AI0	0.75
IPH	PHENOL	A,B,C,D	1FOH	0.75
IPH	PHENOL	A	1V03	0.75
IPH	PHENOL	A,C,E,G,I,K	5AIY	0.75
IPH	PHENOL	B,D,F,H,J,L	1AIY	0.75
IPH	PHENOL	A,B	1XU5	0.75
IPH	PHENOL	A,B,C,D,E,G, I,K	1W8P	0.75
IPH	PHENOL	A,C,E,G,I,K	4AIY	0.75
IPH	PHENOL	A,B,C,D,E,F, G,H	1XDA	0.75
IPH	PHENOL	A	2AS3	0.75
IPH	PHENOL	A,B,C,D	1ZEG	0.75
IPH	PHENOL	A,B,C,D	1PN0	0.75
IPH	PHENOL	A,B,C,D	1XW7	0.75
IPH	PHENOL	A,C,E,G,I,K,M	1QIY	0.75
IPH	PHENOL	A,B,C,D	1Q4V	0.75
IPH	PHENOL	B	1AI7	0.75
IPH	PHENOL	A	1FJW	0.75
IPH	PHENOL	B,C,D	1RWE	0.75
IPH	PHENOL	A,B,C,D,E,G, H,I,K	1ZNJ	0.75
IPH	PHENOL	B,C,D	3GKY	0.75
IPH	PHENOL	A	1JHY	0.75
IPH	PHENOL	A,C,E,G,I,K	3AIY	0.75
IPH	PHENOL	A,B	2OMN	0.75
IPH	PHENOL	A,C,E,G,I,K	2AIY	0.75
IPH	PHENOL	A,B,D	1MPJ	0.75
IPH	PHENOL	A,B,C,D,F,G, H,J	1WAV	0.75
IPH	PHENOL	B,C,D	1LPH	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.7
RCO	RESORCINOL	A,B,C,E,F,G, H,I,J,K	2OLY	0.71
RCO	RESORCINOL	1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y	2OM1	0.71
RCO	RESORCINOL	A,B,C,E,G,H, I,K	2OLZ	0.71
RCO	RESORCINOL	A,B,C,D,E,F	2OMH	0.71
RCO	RESORCINOL	A,B,C,E,G,H, I,J,K	2OMI	0.71
RCO	RESORCINOL	A,B,C,D,E,G, I,J,K	1EVR	0.71
RCO	RESORCINOL	A,C,E,G,I,K,M	1QIZ	0.71
RCO	RESORCINOL	1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y	2OM0	0.71
BOP	1-BROMO-4-METHOXYBENZENE	C,F	1RHQ	0.8
EPL	DIETHYL 4-METHOXYPHENYL PHOSPHATE	A	2R1N	0.78
FPN	4-FLUOROPHENOL	A,B	1XVD	0.72
COU	COUMARIN	A	3CRB	0.75
COU	COUMARIN	A	2PMJ	0.75
COU	COUMARIN	A	2H90	0.75
COU	COUMARIN	A,B,C,D	1Z10	0.75
COU	COUMARIN	A	2PWB	0.75
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.72
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.7
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.74
FFP	2,6-DIFLUOROPHENOL	A	2INX	0.7
POT	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	A	2NW6	0.74
4HM	4-HYDROPEROXY-2-METHOXY-PHENOL	A	1HU9	0.7
PSY	phenyl ethenesulfonate	A	3BM8	0.71
PSY	phenyl ethenesulfonate	A	3BLT	0.71
258	(2-chloroethoxy)benzene	X	2RAY	0.79
IOL	4-IODOPHENOL	A,B	1EWA	0.72
268	2-phenoxyethanol	A	2RBR	0.8
CAQ	CATECHOL	B	2BUY	0.72
CAQ	CATECHOL	A	1KND	0.72
CAQ	CATECHOL	B	2BUQ	0.72
CAQ	CATECHOL	A,B	1DLT	0.72
CAQ	CATECHOL	A	1XEP	0.72
CAQ	CATECHOL	A	2PUM	0.72