MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01085328

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
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.71
MBO	MERCURIBENZOIC ACID	A	2QO8	0.71
MBO	MERCURIBENZOIC ACID	A	1LUG	0.71
MBO	MERCURIBENZOIC ACID	A	2HOC	0.71
MBO	MERCURIBENZOIC ACID	A	3EFI	0.71
MBO	MERCURIBENZOIC ACID	A	3BL0	0.71
MBO	MERCURIBENZOIC ACID	A,B,C,D,E,F	1NAQ	0.71
MBO	MERCURIBENZOIC ACID	A	3CAJ	0.71
MBO	MERCURIBENZOIC ACID	A	1DR7	0.71
MBO	MERCURIBENZOIC ACID	A	2HL4	0.71
MBO	MERCURIBENZOIC ACID	A	2GD8	0.71
MBO	MERCURIBENZOIC ACID	A	2QP6	0.71
MBO	MERCURIBENZOIC ACID	A	2HD6	0.71
MBO	MERCURIBENZOIC ACID	A	3C7P	0.71
MBO	MERCURIBENZOIC ACID	A,B	2JHN	0.71
MBO	MERCURIBENZOIC ACID	A	1DR6	0.71
MBO	MERCURIBENZOIC ACID	A	2HNC	0.71
MBO	MERCURIBENZOIC ACID	A	2QOA	0.71
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.7
SEM	3-AMINO-4-OXYBENZYL-2-BUTANONE	A,B	1THE	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.77
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.7
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.73
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.84
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.84
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.84
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.84
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.84
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.84
RMN	(R)-MANDELIC ACID	A	1MDL	0.71
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.71
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.82
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.72
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.7
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.73
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.73
BEZ	BENZOIC ACID	A,B	2F8D	0.71
BEZ	BENZOIC ACID	A,B	1A8U	0.71
BEZ	BENZOIC ACID	A,B	1REE	0.71
BEZ	BENZOIC ACID	A	1L7Q	0.71
BEZ	BENZOIC ACID	A	1I69	0.71
BEZ	BENZOIC ACID	H,L	1RUL	0.71
BEZ	BENZOIC ACID	A,B	3CCF	0.71
BEZ	BENZOIC ACID	A	1W9Q	0.71
BEZ	BENZOIC ACID	A,B,G,J	2DU8	0.71
BEZ	BENZOIC ACID	H,L	1RUA	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1H4O	0.71
BEZ	BENZOIC ACID	H,L	1RU9	0.71
BEZ	BENZOIC ACID	A,B,C,D	2V32	0.71
BEZ	BENZOIC ACID	A	2QMQ	0.71
BEZ	BENZOIC ACID	A	1UKB	0.71
BEZ	BENZOIC ACID	A,B	1RED	0.71
BEZ	BENZOIC ACID	A,B	1OC3	0.71
BEZ	BENZOIC ACID	A,B	1REF	0.71
BEZ	BENZOIC ACID	A,B	2O02	0.71
BEZ	BENZOIC ACID	A,B	2VJ1	0.71
BEZ	BENZOIC ACID	A,B,C	1WSP	0.71
BEZ	BENZOIC ACID	A	1HZ4	0.71
BEZ	BENZOIC ACID	A	2Q38	0.71
BEZ	BENZOIC ACID	A,B,C,D	1UUJ	0.71
BEZ	BENZOIC ACID	A,B	2QL8	0.71
BEZ	BENZOIC ACID	A	2Q0I	0.71
BEZ	BENZOIC ACID	A,B	1S8F	0.71
BEZ	BENZOIC ACID	D,E,F,G,H	1DJR	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I	1ONI	0.71
BEZ	BENZOIC ACID	A,B,C,D	1I7Q	0.71
BEZ	BENZOIC ACID	A,B,C,D	2RHM	0.71
BEZ	BENZOIC ACID	A,B	2F78	0.71
BEZ	BENZOIC ACID	A,B	2VL2	0.71
BEZ	BENZOIC ACID	A	1HD2	0.71
BEZ	BENZOIC ACID	A	1JU4	0.71
BEZ	BENZOIC ACID	H,L	2AJY	0.71
BEZ	BENZOIC ACID	A,B,C	3GV1	0.71
BEZ	BENZOIC ACID	A	2Q6U	0.71
BEZ	BENZOIC ACID	A,B	1VE9	0.71
BEZ	BENZOIC ACID	A,B	1S9A	0.71
BEZ	BENZOIC ACID	H,L,M	1OP3	0.71
BEZ	BENZOIC ACID	A	1W9E	0.71
BEZ	BENZOIC ACID	A,B,C,D	2V2G	0.71
BEZ	BENZOIC ACID	H,L	2AK1	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	2V41	0.71
BEZ	BENZOIC ACID	A,B	1GYX	0.71
BEZ	BENZOIC ACID	A	1V1T	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1YAJ	0.71
BEZ	BENZOIC ACID	A,B	1HKQ	0.71
BEZ	BENZOIC ACID	H,L	1RUK	0.71
BEZ	BENZOIC ACID	A	2Q1B	0.71
BEZ	BENZOIC ACID	H,L	1RUM	0.71
BEZ	BENZOIC ACID	A,B	2F7A	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1KIF	0.71
BEZ	BENZOIC ACID	A,B	2V7B	0.71
BEZ	BENZOIC ACID	H	1NCW	0.71
BEZ	BENZOIC ACID	A,B	1TMX	0.71
BEZ	BENZOIC ACID	A	1URM	0.71
BEZ	BENZOIC ACID	A	1W9O	0.71
BEZ	BENZOIC ACID	A,B,C,D	1GXS	0.71
BEZ	BENZOIC ACID	H	1RUP	0.71
BEZ	BENZOIC ACID	A,B,C,D	1KQB	0.71
BEZ	BENZOIC ACID	A	2Q9R	0.71
BEZ	BENZOIC ACID	D,H	2OK6	0.71
BEZ	BENZOIC ACID	A,B	2Q0J	0.71
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.79
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.77
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.77
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1F2W	0.71
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2F14	0.71
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1BV3	0.71
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2AW1	0.71
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1ZE8	0.71
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.7
341	(3,5-difluorophenyl)methanol	C	3EON	0.76