MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023035

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
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
FPR	PROPYLBENZENE	C	1RHK	0.74
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.7
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.92
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.92
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.92
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.92
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.92
3PL	3-PHENYLPROPANAL	E	1Y3G	0.9
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.74
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.7
I4B	ISOBUTYLBENZENE	A	184L	0.74
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.71
VK3	MENADIONE	A	1TUV	0.79
VK3	MENADIONE	A,B	2QR2	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.72
OXE	ORTHO-XYLENE	A	188L	0.72
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.81
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.81
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.86
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.72
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	0.71
PHA	PHENYLALANINAL	A,B	1OB2	0.75
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.75
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.75
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.75
PHA	PHENYLALANINAL	P	3SGA	0.75
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.75
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.75
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.75
PHA	PHENYLALANINAL	A,B	1KDV	0.75
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.75
PHA	PHENYLALANINAL	A,B	1KDY	0.75
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.75
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.75
PHA	PHENYLALANINAL	A,B	1KE2	0.75
N4B	N-BUTYLBENZENE	A	186L	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.71
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.76
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.76
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.76
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.76
AC0	1-PHENYLETHANONE	A	1ZK1	0.87
AC0	1-PHENYLETHANONE	A	1ZK4	0.87
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.71
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.76
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.76
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.76
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.76
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.76
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.76
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.76
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.76
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.76
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.76
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.76
HBX	benzaldehyde	A,B	3GDN	0.89
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.78
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.78
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.78
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.77
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.7
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.7
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.85
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.76
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.92
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72