MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02369501

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
SMN	(S)-MANDELIC ACID	A	1MDL	0.77
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.84
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.76
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.75
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.72
FLP	FLURBIPROFEN	A,B	1CQE	0.72
FLP	FLURBIPROFEN	A,B	1EQH	0.72
FLP	FLURBIPROFEN	A,B	2AYL	0.72
FLP	FLURBIPROFEN	A	1DVT	0.72
FLP	FLURBIPROFEN	A	1R9O	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.86
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.86
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.86
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.86
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.72
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.72
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.7
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.72
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.72
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.71
3PL	3-PHENYLPROPANAL	E	1Y3G	0.79
1LP	TRANYLCYPROMINE	A,B	1OJB	0.79
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.78
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.78
PAC	2-PHENYLACETIC ACID	B	1PNL	0.79
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.79
PAC	2-PHENYLACETIC ACID	B	1FXH	0.79
PAC	2-PHENYLACETIC ACID	A	2ISF	0.79
PAC	2-PHENYLACETIC ACID	A	2INE	0.79
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.74
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.74
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.82
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.82
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.7
791	2-PHENYLMALONIC ACID	A	1O4P	0.73
0A9	methyl L-phenylalaninate	A	1AY2	0.72
0A9	methyl L-phenylalaninate	I	5ER1	0.72
0A9	methyl L-phenylalaninate	I,P	1HDT	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.7
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.8
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.8
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	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.8
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	0.8
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	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.8
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.74
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.8
HCI	HYDROCINNAMIC ACID	A	1TOI	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.8
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.8
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.7
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.73
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.73
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.73
PEL	2-PHENYL-ETHANOL	A	1EYW	0.73
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.73
AC0	1-PHENYLETHANONE	A	1ZK1	0.79
AC0	1-PHENYLETHANONE	A	1ZK4	0.79
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.79
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.79
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.74
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.74
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.74
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.74
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.74
VK3	MENADIONE	A	1TUV	0.74
VK3	MENADIONE	A,B	2QR2	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.79
RMN	(R)-MANDELIC ACID	A	1MDL	0.77
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.77
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.75
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.79
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.79
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.79
IBP	IBUPROFEN	A	3FKX	0.76
IBP	IBUPROFEN	A,B	2BXG	0.76
IBP	IBUPROFEN	A,B	1EQG	0.76
IBP	IBUPROFEN	A,B,C	2WD9	0.76
IBP	IBUPROFEN	A	2PWS	0.76
HBX	benzaldehyde	A,B	3GDN	0.72
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.76
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.72
BFL		A,B	1Q4G	0.74
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.78
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.72