MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02672557

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
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.73
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.72
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.78
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.71
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.79
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.78
I4B	ISOBUTYLBENZENE	A	184L	0.7
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.75
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.79
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.79
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.74
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.75
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.75
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.73
PAC	2-PHENYLACETIC ACID	B	1PNL	0.76
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.76
PAC	2-PHENYLACETIC ACID	B	1FXH	0.76
PAC	2-PHENYLACETIC ACID	A	2ISF	0.76
PAC	2-PHENYLACETIC ACID	A	2INE	0.76
CT1	(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE	A	2AUX	0.7
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.72
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.72
SMN	(S)-MANDELIC ACID	A	1MDL	0.73
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.75
FLP	FLURBIPROFEN	A,B	1CQE	0.75
FLP	FLURBIPROFEN	A,B	1EQH	0.75
FLP	FLURBIPROFEN	A,B	2AYL	0.75
FLP	FLURBIPROFEN	A	1DVT	0.75
FLP	FLURBIPROFEN	A	1R9O	0.75
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.76
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.76
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.76
PEL	2-PHENYL-ETHANOL	A	1EYW	0.76
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.76
SS1	1-PHENYLETHANOL	H	1UM5	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.77
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.7
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.76
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.76
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.76
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.76
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.76
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.76
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.76
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.73
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.73
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.73
791	2-PHENYLMALONIC ACID	A	1O4P	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.72
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.79
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.81
RMN	(R)-MANDELIC ACID	A	1MDL	0.73
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.73
BFL		A,B	1Q4G	0.77
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.73
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.74
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.71
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.81
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.81
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.81
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.77
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.71
IBP	IBUPROFEN	A	3FKX	0.81
IBP	IBUPROFEN	A,B	2BXG	0.81
IBP	IBUPROFEN	A,B	1EQG	0.81
IBP	IBUPROFEN	A,B,C	2WD9	0.81
IBP	IBUPROFEN	A	2PWS	0.81
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.7
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.7
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.74
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.71
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.75
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.74